ethyl 4-[[4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[4-(methylthio)-1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]butyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-(methylthio)-2-[(2-phenoxyacetyl)amino]butanoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H31N3O5S/c1-3-28-21(27)24-12-9-16(10-13-24)22-20(26)18(11-14-30-2)23-19(25)15-29-17-7-5-4-6-8-17/h4-8,16,18H,3,9-15H2,1-2H3,(H,22,26)(H,23,25)