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

Systemtic Name: methyl (2R)-4-[2-[(3-nitrophenyl)carbonylamino]ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-[(3-nitrobenzoyl)amino]acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-[[(3-nitrophenyl)-oxomethyl]amino]-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-[(3-nitrobenzoyl)amino]acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-[(3-nitrobenzoyl)amino]acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C15H17N3O6S MolecularWeight: 367.37698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O6S/c1-24-15(21)12-9-17(5-6-25-12)13(19)8-16-14(20)10-3-2-4-11(7-10)18(22)23/h2-4,7,12H,5-6,8-9H2,1H3,(H,16,20)/t12-/m1/s1