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

Systemtic Name: ethyl 1-[3-[(3-cyclohexyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-methyl-2-oxidanylidene-quinolin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(3-cyclohexyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-1-methyl-2-oxo-4-quinolyl]piperidine-4-carboxylate CAS Name: 1-[3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-1-methyl-2-oxo-4-quinolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-methyl-2-oxoquinolin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[(3-cyclohexyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-keto-1-methyl-4-quinolyl]isonipecotic acid ethyl ester Formula: C28H33N3O4S2 MolecularWeight: 539.70932

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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)C5CCCCC5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=O)N(C3=CC=CC=C32)C)C=C4C(=O)N(C(=S)S4)C5CCCCC5

InChI

InChI=1S/C28H33N3O4S2/c1-3-35-27(34)18-13-15-30(16-14-18)24-20-11-7-8-12-22(20)29(2)25(32)21(24)17-23-26(33)31(28(36)37-23)19-9-5-4-6-10-19/h7-8,11-12,17-19H,3-6,9-10,13-16H2,1-2H3