3-methylbutyl (2S)-2-[(2-methylsulfanylphenyl)carbonylamino]-2-phenyl-ethanoate

Systemtic Name: 3-methylbutyl (2S)-2-[(2-methylsulfanylphenyl)carbonylamino]-2-phenyl-ethanoate Openeye Name: isopentyl (2S)-2-[(2-methylsulfanylbenzoyl)amino]-2-phenyl-acetate CAS Name: (2S)-2-[[[2-(methylthio)phenyl]-oxomethyl]amino]-2-phenylacetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (2S)-2-[(2-methylsulfanylbenzoyl)amino]-2-phenylacetate Traditional Name: (2S)-2-[[2-(methylthio)benzoyl]amino]-2-phenyl-acetic acid isoamyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2SC

Isomeric SMILES

CC(C)CCOC(=O)[C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2SC

InChI

InChI=1S/C21H25NO3S/c1-15(2)13-14-25-21(24)19(16-9-5-4-6-10-16)22-20(23)17-11-7-8-12-18(17)26-3/h4-12,15,19H,13-14H2,1-3H3,(H,22,23)/t19-/m0/s1