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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=C(C3=CC=CC=C3N(C2=O)C)N4CCC(CC4)C(=O)OCC)SC1=S

Isomeric SMILES

CCCCN1C(=O)C(=CC2=C(C3=CC=CC=C3N(C2=O)C)N4CCC(CC4)C(=O)OCC)SC1=S

InChI

InChI=1S/C26H31N3O4S2/c1-4-6-13-29-24(31)21(35-26(29)34)16-19-22(18-9-7-8-10-20(18)27(3)23(19)30)28-14-11-17(12-15-28)25(32)33-5-2/h7-10,16-17H,4-6,11-15H2,1-3H3