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4-(2-{[(5Z)-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxymethyl)benzoic acid

4-(2-{[(5Z)-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxymethyl)benzoic acid

Formula: C22H19NO7S

SMILES: CCOC(=O)CN1C(=O)SC(=C/C2=CC=CC=C2OCC2=CC=C(C=C2)C(O)=O)C1=O

IUPAC: 4-[(2-{[(5Z)-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid

InChI: InChI=1S/C22H19NO7S/c1-2-29-19(24)12-23-20(25)18(31-22(23)28)11-16-5-3-4-6-17(16)30-13-14-7-9-15(10-8-14)21(26)27/h3-11H,2,12-13H2,1H3,(H,26,27)/b18-11-

Composition: C (59.86%), H (4.34%), N (3.17%), O (25.37%), S (7.26%)

Molar Mass: 441.45

Atom Count: 50

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 441.08822313
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey AORGFGOBXWQWRF-WQRHYEAKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 115.05
Topological Polar Surface Area 110.21
Polarizability 43.75
Ring Count 3
Rotatable Bond Count 9

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H19NO7S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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