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

Systemtic Name: methyl (2R)-4-[2-[(3-nitrophenyl)amino]ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-(3-nitroanilino)acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-(3-nitroanilino)-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-(3-nitroanilino)acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-(3-nitroanilino)acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C14H17N3O5S MolecularWeight: 339.36688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)CNC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)CNC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O5S/c1-22-14(19)12-9-16(5-6-23-12)13(18)8-15-10-3-2-4-11(7-10)17(20)21/h2-4,7,12,15H,5-6,8-9H2,1H3/t12-/m1/s1