4-[3-(methoxyamino)-3-(6-methoxyquinolin-4-yl)propyl]-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]piperidine-3-carboxylic acid

Systemtic Name: 4-[3-(methoxyamino)-3-(6-methoxyquinolin-4-yl)propyl]-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]piperidine-3-carboxylic acid Openeye Name: 4-[3-(methoxyamino)-3-(6-methoxy-4-quinolyl)propyl]-1-(2-thiazol-2-ylsulfanylethyl)piperidine-3-carboxylic acid CAS Name: 4-[3-(methoxyamino)-3-(6-methoxy-4-quinolinyl)propyl]-1-[2-(2-thiazolylthio)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[3-(methoxyamino)-3-(6-methoxyquinolin-4-yl)propyl]-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]piperidine-3-carboxylic acid Traditional Name: 4-[3-(methoxyamino)-3-(6-methoxy-4-quinolyl)propyl]-1-[2-(thiazol-2-ylthio)ethyl]nipecotic acid Formula: C25H32N4O4S2 MolecularWeight: 516.67598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CCC3CCN(CC3C(=O)O)CCSC4=NC=CS4)NOC

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CCC3CCN(CC3C(=O)O)CCSC4=NC=CS4)NOC

InChI

InChI=1S/C25H32N4O4S2/c1-32-18-4-6-22-20(15-18)19(7-9-26-22)23(28-33-2)5-3-17-8-11-29(16-21(17)24(30)31)12-14-35-25-27-10-13-34-25/h4,6-7,9-10,13,15,17,21,23,28H,3,5,8,11-12,14,16H2,1-2H3,(H,30,31)