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

Systemtic Name: ethyl 1-[2-[(2-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[(2-bromobenzoyl)amino]-4-methylsulfanyl-butanoyl]piperidine-3-carboxylate CAS Name: 1-[2-[[(2-bromophenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(2-bromobenzoyl)amino]-4-methylsulfanylbutanoyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(2-bromobenzoyl)amino]-4-(methylthio)butanoyl]nipecotic acid ethyl ester Formula: C20H27BrN2O4S MolecularWeight: 471.40838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C20H27BrN2O4S/c1-3-27-20(26)14-7-6-11-23(13-14)19(25)17(10-12-28-2)22-18(24)15-8-4-5-9-16(15)21/h4-5,8-9,14,17H,3,6-7,10-13H2,1-2H3,(H,22,24)