ethyl 1-[1-methyl-2-oxidanylidene-3-[[4-oxidanylidene-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]quinolin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-methyl-2-oxidanylidene-3-[[4-oxidanylidene-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]quinolin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[1-methyl-2-oxo-3-[[4-oxo-3-(1-phenylethyl)-2-thioxo-thiazolidin-5-ylidene]methyl]-4-quinolyl]piperidine-4-carboxylate CAS Name: 1-[1-methyl-2-oxo-3-[[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-5-thiazolidinylidene]methyl]-4-quinolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-methyl-2-oxo-3-[[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]quinolin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[2-keto-3-[[4-keto-3-(1-phenylethyl)-2-thioxo-thiazolidin-5-ylidene]methyl]-1-methyl-4-quinolyl]isonipecotic acid ethyl ester Formula: C30H31N3O4S2 MolecularWeight: 561.71484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=O)N(C3=CC=CC=C32)C)C=C4C(=O)N(C(=S)S4)C(C)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=O)N(C3=CC=CC=C32)C)C=C4C(=O)N(C(=S)S4)C(C)C5=CC=CC=C5

InChI

InChI=1S/C30H31N3O4S2/c1-4-37-29(36)21-14-16-32(17-15-21)26-22-12-8-9-13-24(22)31(3)27(34)23(26)18-25-28(35)33(30(38)39-25)19(2)20-10-6-5-7-11-20/h5-13,18-19,21H,4,14-17H2,1-3H3