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

Systemtic Name: ethyl 1-[1-methyl-3-[[3-(2-methylpropyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxidanylidene-quinolin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(3-isobutyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-1-methyl-2-oxo-4-quinolyl]piperidine-4-carboxylate CAS Name: 1-[1-methyl-3-[[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]-2-oxo-4-quinolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-methyl-3-[[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxoquinolin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[(3-isobutyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-keto-1-methyl-4-quinolyl]isonipecotic acid ethyl ester Formula: C26H31N3O4S2 MolecularWeight: 513.67204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=O)N(C3=CC=CC=C32)C)C=C4C(=O)N(C(=S)S4)CC(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=O)N(C3=CC=CC=C32)C)C=C4C(=O)N(C(=S)S4)CC(C)C

InChI

InChI=1S/C26H31N3O4S2/c1-5-33-25(32)17-10-12-28(13-11-17)22-18-8-6-7-9-20(18)27(4)23(30)19(22)14-21-24(31)29(15-16(2)3)26(34)35-21/h6-9,14,16-17H,5,10-13,15H2,1-4H3