ethyl 1-[1-methyl-2-oxidanylidene-3-[(4-oxidanylidene-3-pentyl-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-pentyl-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-pentyl-2-thioxo-thiazolidin-5-ylidene)methyl]-4-quinolyl]piperidine-4-carboxylate CAS Name: 1-[1-methyl-2-oxo-3-[(4-oxo-3-pentyl-2-sulfanylidene-5-thiazolidinylidene)methyl]-4-quinolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-methyl-2-oxo-3-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[(3-amyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-keto-1-methyl-4-quinolyl]isonipecotic acid ethyl ester Formula: C27H33N3O4S2 MolecularWeight: 527.69862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C(=CC2=C(C3=CC=CC=C3N(C2=O)C)N4CCC(CC4)C(=O)OCC)SC1=S

Isomeric SMILES

CCCCCN1C(=O)C(=CC2=C(C3=CC=CC=C3N(C2=O)C)N4CCC(CC4)C(=O)OCC)SC1=S

InChI

InChI=1S/C27H33N3O4S2/c1-4-6-9-14-30-25(32)22(36-27(30)35)17-20-23(19-10-7-8-11-21(19)28(3)24(20)31)29-15-12-18(13-16-29)26(33)34-5-2/h7-8,10-11,17-18H,4-6,9,12-16H2,1-3H3