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

Systemtic Name: ethyl 1-[1-ethyl-3-[(3-hexyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxidanylidene-quinolin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[1-ethyl-3-[(3-hexyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-oxo-4-quinolyl]piperidine-4-carboxylate CAS Name: 1-[1-ethyl-3-[(3-hexyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-2-oxo-4-quinolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-ethyl-3-[(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxoquinolin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[1-ethyl-3-[(3-hexyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-keto-4-quinolyl]isonipecotic acid ethyl ester Formula: C29H37N3O4S2 MolecularWeight: 555.75178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CC2=C(C3=CC=CC=C3N(C2=O)CC)N4CCC(CC4)C(=O)OCC)SC1=S

Isomeric SMILES

CCCCCCN1C(=O)C(=CC2=C(C3=CC=CC=C3N(C2=O)CC)N4CCC(CC4)C(=O)OCC)SC1=S

InChI

InChI=1S/C29H37N3O4S2/c1-4-7-8-11-16-32-27(34)24(38-29(32)37)19-22-25(30-17-14-20(15-18-30)28(35)36-6-3)21-12-9-10-13-23(21)31(5-2)26(22)33/h9-10,12-13,19-20H,4-8,11,14-18H2,1-3H3