methyl (2R)-2-[(3-methylphenyl)carbonylamino]-3-(3-methylphenyl)carbonylsulfanyl-propanoate

Systemtic Name: methyl (2R)-2-[(3-methylphenyl)carbonylamino]-3-(3-methylphenyl)carbonylsulfanyl-propanoate Openeye Name: methyl (2R)-2-[(3-methylbenzoyl)amino]-3-(3-methylbenzoyl)sulfanyl-propanoate CAS Name: (2R)-2-[[(3-methylphenyl)-oxomethyl]amino]-3-[[(3-methylphenyl)-oxomethyl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(3-methylbenzoyl)amino]-3-(3-methylbenzoyl)sulfanylpropanoate Traditional Name: (2R)-2-(m-toluoylamino)-3-(m-toluoylthio)propionic acid methyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CSC(=O)C2=CC(=CC=C2)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](CSC(=O)C2=CC(=CC=C2)C)C(=O)OC

InChI

InChI=1S/C20H21NO4S/c1-13-6-4-8-15(10-13)18(22)21-17(19(23)25-3)12-26-20(24)16-9-5-7-14(2)11-16/h4-11,17H,12H2,1-3H3,(H,21,22)/t17-/m0/s1