ethyl 1-[2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoyl]piperidine-3-carboxylate CAS Name: 1-[2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoyl]piperidine-3-carboxylate Traditional Name: 1-[4-(methylthio)-2-(o-anisoylamino)butanoyl]nipecotic acid ethyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C21H30N2O5S/c1-4-28-21(26)15-8-7-12-23(14-15)20(25)17(11-13-29-3)22-19(24)16-9-5-6-10-18(16)27-2/h5-6,9-10,15,17H,4,7-8,11-14H2,1-3H3,(H,22,24)