methyl (2R)-4-[3-[(2-methylphenyl)carbonylamino]propanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[3-[(2-methylphenyl)carbonylamino]propanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[3-[(2-methylbenzoyl)amino]propanoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[3-[[(2-methylphenyl)-oxomethyl]amino]-1-oxopropyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[3-[(2-methylbenzoyl)amino]propanoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[3-(o-toluoylamino)propanoyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)N2CCSC(C2)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)N2CCS[C@H](C2)C(=O)OC

InChI

InChI=1S/C17H22N2O4S/c1-12-5-3-4-6-13(12)16(21)18-8-7-15(20)19-9-10-24-14(11-19)17(22)23-2/h3-6,14H,7-11H2,1-2H3,(H,18,21)/t14-/m1/s1