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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=C(C3=CC=CC=C3N(C2=O)CC)N4CCC(CC4)C(=O)OCC)SC1=S

Isomeric SMILES

CCCCN1C(=O)C(=CC2=C(C3=CC=CC=C3N(C2=O)CC)N4CCC(CC4)C(=O)OCC)SC1=S

InChI

InChI=1S/C27H33N3O4S2/c1-4-7-14-30-25(32)22(36-27(30)35)17-20-23(28-15-12-18(13-16-28)26(33)34-6-3)19-10-8-9-11-21(19)29(5-2)24(20)31/h8-11,17-18H,4-7,12-16H2,1-3H3