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

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)CCNS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)CCNS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C17H17N3O5S2/c1-12(17(22)20-14-6-3-2-5-13(14)11-18)25-15(21)8-9-19-27(23,24)16-7-4-10-26-16/h2-7,10,12,19H,8-9H2,1H3,(H,20,22)