methyl 4-[[(5E)-4-oxidanylidene-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]methylamino]benzoate

Systemtic Name: methyl 4-[[(5E)-4-oxidanylidene-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]methylamino]benzoate Openeye Name: methyl 4-[[(5E)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-thioxo-thiazolidin-3-yl]methylamino]benzoate CAS Name: 4-[[(5E)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-3-thiazolidinyl]methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(5E)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]methylamino]benzoate Traditional Name: 4-[[(5E)-4-keto-5-[(E)-3-phenylprop-2-enylidene]-2-thioxo-thiazolidin-3-yl]methylamino]benzoic acid methyl ester Formula: C21H18N2O3S2 MolecularWeight: 410.50922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NCN2C(=O)C(=CC=CC3=CC=CC=C3)SC2=S

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NCN2C(=O)/C(=C\C=C\C3=CC=CC=C3)/SC2=S

InChI

InChI=1S/C21H18N2O3S2/c1-26-20(25)16-10-12-17(13-11-16)22-14-23-19(24)18(28-21(23)27)9-5-8-15-6-3-2-4-7-15/h2-13,22H,14H2,1H3/b8-5+,18-9+