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

Systemtic Name: ethyl 1-[3-[(3-butan-2-yl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-2-oxidanylidene-quinolin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[1-ethyl-2-oxo-3-[(4-oxo-3-sec-butyl-2-thioxo-thiazolidin-5-ylidene)methyl]-4-quinolyl]piperidine-4-carboxylate CAS Name: 1-[3-[(3-butan-2-yl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-1-ethyl-2-oxo-4-quinolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-2-oxoquinolin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[1-ethyl-2-keto-3-[(4-keto-3-sec-butyl-2-thioxo-thiazolidin-5-ylidene)methyl]-4-quinolyl]isonipecotic acid ethyl ester Formula: C27H33N3O4S2 MolecularWeight: 527.69862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=CC2=C(C3=CC=CC=C3N(C2=O)CC)N4CCC(CC4)C(=O)OCC)SC1=S

Isomeric SMILES

CCC(C)N1C(=O)C(=CC2=C(C3=CC=CC=C3N(C2=O)CC)N4CCC(CC4)C(=O)OCC)SC1=S

InChI

InChI=1S/C27H33N3O4S2/c1-5-17(4)30-25(32)22(36-27(30)35)16-20-23(28-14-12-18(13-15-28)26(33)34-7-3)19-10-8-9-11-21(19)29(6-2)24(20)31/h8-11,16-18H,5-7,12-15H2,1-4H3