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

Systemtic Name: methyl 4-[[4-oxidanylidene-3-(2-phenylethanoylamino)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate Openeye Name: methyl 4-[[4-oxo-3-[(2-phenylacetyl)amino]-2-thioxo-thiazolidin-5-ylidene]methyl]benzoate CAS Name: 4-[[4-oxo-3-[(1-oxo-2-phenylethyl)amino]-2-sulfanylidene-5-thiazolidinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-oxo-3-[(2-phenylacetyl)amino]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate Traditional Name: 4-[[4-keto-3-[(2-phenylacetyl)amino]-2-thioxo-thiazolidin-5-ylidene]methyl]benzoic acid methyl ester Formula: C20H16N2O4S2 MolecularWeight: 412.48204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H16N2O4S2/c1-26-19(25)15-9-7-14(8-10-15)11-16-18(24)22(20(27)28-16)21-17(23)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,21,23)