[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C16H17N3O7S2 MolecularWeight: 427.45208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CCNS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CCNS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C16H17N3O7S2/c1-11(16(21)18-12-5-2-3-6-13(12)19(22)23)26-14(20)8-9-17-28(24,25)15-7-4-10-27-15/h2-7,10-11,17H,8-9H2,1H3,(H,18,21)