[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(phenylsulfonyl)propanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(phenylsulfonyl)propanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C16H14N2O5S2 MolecularWeight: 378.42276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C16H14N2O5S2/c17-10-12-6-8-24-16(12)18-14(19)11-23-15(20)7-9-25(21,22)13-4-2-1-3-5-13/h1-6,8H,7,9,11H2,(H,18,19)