methyl 2-[[(E)-(4-oxidanylidene-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]amino]benzoate

Systemtic Name: methyl 2-[[(E)-(4-oxidanylidene-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]amino]benzoate Openeye Name: methyl 2-[[(E)-(4-oxo-3-phenethyl-2-thioxo-thiazolidin-5-ylidene)methyl]amino]benzoate CAS Name: 2-[[(E)-(4-oxo-3-phenethyl-2-sulfanylidene-5-thiazolidinylidene)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-(4-oxo-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]amino]benzoate Traditional Name: 2-[[(E)-(4-keto-3-phenethyl-2-thioxo-thiazolidin-5-ylidene)methyl]amino]benzoic acid methyl ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC=C2C(=O)N(C(=S)S2)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1N/C=C/2\C(=O)N(C(=S)S2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3S2/c1-25-19(24)15-9-5-6-10-16(15)21-13-17-18(23)22(20(26)27-17)12-11-14-7-3-2-4-8-14/h2-10,13,21H,11-12H2,1H3/b17-13+