methyl (2R)-4-[2-[(3,4-dimethylphenyl)carbonylamino]ethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-[(3,4-dimethylphenyl)carbonylamino]ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-[(3,4-dimethylbenzoyl)amino]acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-[[(3,4-dimethylphenyl)-oxomethyl]amino]-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-[(3,4-dimethylbenzoyl)amino]acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-[(3,4-dimethylbenzoyl)amino]acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCSC(C2)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCS[C@H](C2)C(=O)OC)C

InChI

InChI=1S/C17H22N2O4S/c1-11-4-5-13(8-12(11)2)16(21)18-9-15(20)19-6-7-24-14(10-19)17(22)23-3/h4-5,8,14H,6-7,9-10H2,1-3H3,(H,18,21)/t14-/m1/s1