methyl 3-methyl-2-(2-phenylethanoylamino)-3-sulfanyl-butanoate

Systemtic Name: methyl 3-methyl-2-(2-phenylethanoylamino)-3-sulfanyl-butanoate Openeye Name: methyl 3-methyl-2-[(2-phenylacetyl)amino]-3-sulfanyl-butanoate CAS Name: 3-mercapto-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[(2-phenylacetyl)amino]-3-sulfanylbutanoate Traditional Name: 3-mercapto-3-methyl-2-[(2-phenylacetyl)amino]butyric acid methyl ester Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)OC)NC(=O)CC1=CC=CC=C1)S

Isomeric SMILES

CC(C)(C(C(=O)OC)NC(=O)CC1=CC=CC=C1)S

InChI

InChI=1S/C14H19NO3S/c1-14(2,19)12(13(17)18-3)15-11(16)9-10-7-5-4-6-8-10/h4-8,12,19H,9H2,1-3H3,(H,15,16)