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

Systemtic Name: methyl (2R)-4-[2-[(3-methylphenyl)carbonylamino]ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-[(3-methylbenzoyl)amino]acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-[[(3-methylphenyl)-oxomethyl]amino]-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-[(3-methylbenzoyl)amino]acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-(m-toluoylamino)acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4S/c1-11-4-3-5-12(8-11)15(20)17-9-14(19)18-6-7-23-13(10-18)16(21)22-2/h3-5,8,13H,6-7,9-10H2,1-2H3,(H,17,20)/t13-/m1/s1