ethyl 1-[1-methyl-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-methyl-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-methyl-2-oxo-4-quinolyl]piperidine-4-carboxylate CAS Name: 1-[1-methyl-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-methyl-2-oxoquinolin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[(3-benzyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-keto-1-methyl-4-quinolyl]isonipecotic acid ethyl ester Formula: C29H29N3O4S2 MolecularWeight: 547.68826

Click to see the large picture

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)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=O)N(C3=CC=CC=C32)C)C=C4C(=O)N(C(=S)S4)CC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O4S2/c1-3-36-28(35)20-13-15-31(16-14-20)25-21-11-7-8-12-23(21)30(2)26(33)22(25)17-24-27(34)32(29(37)38-24)18-19-9-5-4-6-10-19/h4-12,17,20H,3,13-16,18H2,1-2H3