methyl 6-[[4-oxidanylidene-3-(2-phenylethanoylamino)-2-sulfanylidene-1,3-thiazolidin-5-yl]methylamino]cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: methyl 6-[[4-oxidanylidene-3-(2-phenylethanoylamino)-2-sulfanylidene-1,3-thiazolidin-5-yl]methylamino]cyclohexa-2,4-diene-1-carboxylate Openeye Name: methyl 6-[[4-oxo-3-[(2-phenylacetyl)amino]-2-thioxo-thiazolidin-5-yl]methylamino]cyclohexa-2,4-diene-1-carboxylate CAS Name: 6-[[4-oxo-3-[(1-oxo-2-phenylethyl)amino]-2-sulfanylidene-5-thiazolidinyl]methylamino]-1-cyclohexa-2,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 6-[[4-oxo-3-[(2-phenylacetyl)amino]-2-sulfanylidene-1,3-thiazolidin-5-yl]methylamino]cyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-[[4-keto-3-[(2-phenylacetyl)amino]-2-thioxo-thiazolidin-5-yl]methylamino]cyclohexa-2,4-diene-1-carboxylic acid methyl ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C=CC=CC1NCC2C(=O)N(C(=S)S2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1C=CC=CC1NCC2C(=O)N(C(=S)S2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4S2/c1-27-19(26)14-9-5-6-10-15(14)21-12-16-18(25)23(20(28)29-16)22-17(24)11-13-7-3-2-4-8-13/h2-10,14-16,21H,11-12H2,1H3,(H,22,24)