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

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] (2S)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(tosylamino)propionic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C17H17N3O5S2/c1-11-3-5-14(6-4-11)27(23,24)20-12(2)17(22)25-10-15(21)19-16-13(9-18)7-8-26-16/h3-8,12,20H,10H2,1-2H3,(H,19,21)/t12-/m0/s1