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

Systemtic Name: ethyl 1-[1-ethyl-2-oxidanylidene-3-[[4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]quinolin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(3-benzyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-1-ethyl-2-oxo-4-quinolyl]piperidine-4-carboxylate CAS Name: 1-[1-ethyl-2-oxo-3-[[4-oxo-3-(phenylmethyl)-2-sulfanylidene-5-thiazolidinylidene]methyl]-4-quinolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-2-oxoquinolin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[(3-benzyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-1-ethyl-2-keto-4-quinolyl]isonipecotic acid ethyl ester Formula: C30H31N3O4S2 MolecularWeight: 561.71484

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)N5CCC(CC5)C(=O)OCC

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)N5CCC(CC5)C(=O)OCC

InChI

InChI=1S/C30H31N3O4S2/c1-3-32-24-13-9-8-12-22(24)26(31-16-14-21(15-17-31)29(36)37-4-2)23(27(32)34)18-25-28(35)33(30(38)39-25)19-20-10-6-5-7-11-20/h5-13,18,21H,3-4,14-17,19H2,1-2H3