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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)CCC(C)C)N4CCC(CC4)C(=O)OCC

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)CCC(C)C)N4CCC(CC4)C(=O)OCC

InChI

InChI=1S/C28H35N3O4S2/c1-5-30-22-10-8-7-9-20(22)24(29-14-12-19(13-15-29)27(34)35-6-2)21(25(30)32)17-23-26(33)31(28(36)37-23)16-11-18(3)4/h7-10,17-19H,5-6,11-16H2,1-4H3