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

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: 2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butyric acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C18H18ClN3O5S2 MolecularWeight: 455.93562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=C(C=CS1)C#N)NS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=C(C=CS1)C#N)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClN3O5S2/c1-11(2)16(22-29(25,26)14-5-3-13(19)4-6-14)18(24)27-10-15(23)21-17-12(9-20)7-8-28-17/h3-8,11,16,22H,10H2,1-2H3,(H,21,23)