methyl 4-acetamido-2-[cyclopentyl(methanethioyl)amino]-2-(phenylmethyl)butanoate

Systemtic Name: methyl 4-acetamido-2-[cyclopentyl(methanethioyl)amino]-2-(phenylmethyl)butanoate Openeye Name: methyl 4-acetamido-2-benzyl-2-[cyclopentyl(methanethioyl)amino]butanoate CAS Name: 4-acetamido-2-[cyclopentyl(methanethioyl)amino]-2-(phenylmethyl)butanoic acid methyl ester IUPAC Name: methyl 4-acetamido-2-benzyl-2-[cyclopentyl(methanethioyl)amino]butanoate Traditional Name: 4-acetamido-2-benzyl-2-[cyclopentyl(thioformyl)amino]butyric acid methyl ester Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(CC1=CC=CC=C1)(C(=O)OC)N(C=S)C2CCCC2

Isomeric SMILES

CC(=O)NCCC(CC1=CC=CC=C1)(C(=O)OC)N(C=S)C2CCCC2

InChI

InChI=1S/C20H28N2O3S/c1-16(23)21-13-12-20(19(24)25-2,14-17-8-4-3-5-9-17)22(15-26)18-10-6-7-11-18/h3-5,8-9,15,18H,6-7,10-14H2,1-2H3,(H,21,23)