methyl 3-[[3-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[3-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]methyl]benzoate Openeye Name: methyl 3-[[3-[(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]indol-1-yl]methyl]benzoate CAS Name: 3-[[3-[(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-1-indolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]methyl]benzoate Traditional Name: 3-[[3-[(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]indol-1-yl]methyl]benzoic acid methyl ester Formula: C21H16N2O3S2 MolecularWeight: 408.49334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=S)S4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=S)S4

InChI

InChI=1S/C21H16N2O3S2/c1-26-20(25)14-6-4-5-13(9-14)11-23-12-15(16-7-2-3-8-17(16)23)10-18-19(24)22-21(27)28-18/h2-10,12H,11H2,1H3,(H,22,24,27)