[1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetylanilino)-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-(4-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H20N2O6S2 MolecularWeight: 424.4912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)CCNS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)CCNS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C18H20N2O6S2/c1-12(21)14-5-7-15(8-6-14)20-18(23)13(2)26-16(22)9-10-19-28(24,25)17-4-3-11-27-17/h3-8,11,13,19H,9-10H2,1-2H3,(H,20,23)