methyl (2R)-2-[(3-methyl-1-benzofuran-2-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[(3-methyl-1-benzofuran-2-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[(3-methylbenzofuran-2-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(3-methyl-2-benzofuranyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(3-methylbenzofuran-2-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)N[C@H](CCSC)C(=O)OC

InChI

InChI=1S/C16H19NO4S/c1-10-11-6-4-5-7-13(11)21-14(10)15(18)17-12(8-9-22-3)16(19)20-2/h4-7,12H,8-9H2,1-3H3,(H,17,18)/t12-/m1/s1