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

Systemtic Name: ethyl 1-[1-ethyl-2-oxidanylidene-3-[(4-oxidanylidene-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[1-ethyl-2-oxo-3-[(4-oxo-3-phenethyl-2-thioxo-thiazolidin-5-ylidene)methyl]-4-quinolyl]piperidine-4-carboxylate CAS Name: 1-[1-ethyl-2-oxo-3-[(4-oxo-3-phenethyl-2-sulfanylidene-5-thiazolidinylidene)methyl]-4-quinolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-ethyl-2-oxo-3-[(4-oxo-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[1-ethyl-2-keto-3-[(4-keto-3-phenethyl-2-thioxo-thiazolidin-5-ylidene)methyl]-4-quinolyl]isonipecotic acid ethyl ester Formula: C31H33N3O4S2 MolecularWeight: 575.74142

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)CCC4=CC=CC=C4)N5CCC(CC5)C(=O)OCC

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)CCC4=CC=CC=C4)N5CCC(CC5)C(=O)OCC

InChI

InChI=1S/C31H33N3O4S2/c1-3-33-25-13-9-8-12-23(25)27(32-17-15-22(16-18-32)30(37)38-4-2)24(28(33)35)20-26-29(36)34(31(39)40-26)19-14-21-10-6-5-7-11-21/h5-13,20,22H,3-4,14-19H2,1-2H3