[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1(CCCC1)C#N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)OCC(=O)NC1(CCCC1)C#N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H25N3O4S/c1-28-12-9-16(22-18(25)15-7-3-2-4-8-15)19(26)27-13-17(24)23-20(14-21)10-5-6-11-20/h2-4,7-8,16H,5-6,9-13H2,1H3,(H,22,25)(H,23,24)