[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(thiophen-2-ylsulfonylamino)ethanoate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(thiophen-2-ylsulfonylamino)ethanoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 2-(2-thienylsulfonylamino)acetate CAS Name: 2-(thiophen-2-ylsulfonylamino)acetic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylsulfonylamino)acetate Traditional Name: 2-(2-thienylsulfonylamino)acetic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C15H15N3O7S2 MolecularWeight: 413.4255

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O7S2/c1-10(15(20)17-11-4-6-12(7-5-11)18(21)22)25-13(19)9-16-27(23,24)14-3-2-8-26-14/h2-8,10,16H,9H2,1H3,(H,17,20)