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ethyl 2-(2,6-dichloro-4-{[(5E)-2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate

ethyl 2-(2,6-dichloro-4-{[(5E)-2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate

Formula: C17H13Cl2NO5S

SMILES: CCOC(=O)COC1=C(Cl)C=C(C=C2SC(=O)N(CC#C)C2=O)C=C1Cl

IUPAC: ethyl 2-(2,6-dichloro-4-{[(5E)-2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate

InChI: InChI=1S/C17H13Cl2NO5S/c1-3-5-20-16(22)13(26-17(20)23)8-10-6-11(18)15(12(19)7-10)25-9-14(21)24-4-2/h1,6-8H,4-5,9H2,2H3/b13-8+

Composition: C (49.29%), H (3.16%), Cl (17.12%), N (3.38%), O (19.31%), S (7.74%)

Molar Mass: 414.25

Atom Count: 39

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 412.9891491
Formal Charge 0
FSP3 0.24
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey BQENCIUJRQLYHS-MDWZMJQESA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.37
Topological Polar Surface Area 72.91
Polarizability 38.3
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H13Cl2NO5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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