[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-chlorophenyl)sulfonylamino]propanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-chlorophenyl)sulfonylamino]propionic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C16H14ClN3O5S2 MolecularWeight: 427.88246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)NCCC(=O)OCC(=O)NC2=C(C=CS2)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)NCCC(=O)OCC(=O)NC2=C(C=CS2)C#N)Cl

InChI

InChI=1S/C16H14ClN3O5S2/c17-12-1-3-13(4-2-12)27(23,24)19-7-5-15(22)25-10-14(21)20-16-11(9-18)6-8-26-16/h1-4,6,8,19H,5,7,10H2,(H,20,21)