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4-(4-{[(5E)-2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxymethyl)benzoic acid

4-(4-{[(5E)-2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxymethyl)benzoic acid

Formula: C23H19NO6S

SMILES: CCOC1=CC(C=C2SC(=O)N(CC#C)C2=O)=CC=C1OCC1=CC=C(C=C1)C(O)=O

IUPAC: 4-[(4-{[(5E)-2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxy)methyl]benzoic acid

InChI: InChI=1S/C23H19NO6S/c1-3-11-24-21(25)20(31-23(24)28)13-16-7-10-18(19(12-16)29-4-2)30-14-15-5-8-17(9-6-15)22(26)27/h1,5-10,12-13H,4,11,14H2,2H3,(H,26,27)/b20-13+

Composition: C (63.15%), H (4.38%), N (3.20%), O (21.94%), S (7.33%)

Molar Mass: 437.47

Atom Count: 50

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 437.09330851
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey BUDPZRJBBCFQEC-DEDYPNTBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 118.24
Topological Polar Surface Area 93.14
Polarizability 44.37
Ring Count 3
Rotatable Bond Count 8

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H19NO6S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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