ethyl 1-[3-[(3-hexyl-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-hexyl-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-hexyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-1-methyl-2-oxo-4-quinolyl]piperidine-4-carboxylate CAS Name: 1-[3-[(3-hexyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-1-methyl-2-oxo-4-quinolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-methyl-2-oxoquinolin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[(3-hexyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-keto-1-methyl-4-quinolyl]isonipecotic acid ethyl ester Formula: C28H35N3O4S2 MolecularWeight: 541.7252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O4S2/c1-4-6-7-10-15-31-26(33)23(37-28(31)36)18-21-24(20-11-8-9-12-22(20)29(3)25(21)32)30-16-13-19(14-17-30)27(34)35-5-2/h8-9,11-12,18-19H,4-7,10,13-17H2,1-3H3