[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: 2-(benzenesulfonamido)-3-methylbutanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: 2-(benzenesulfonamido)-3-methyl-butyric acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C18H19N3O5S2 MolecularWeight: 421.49056

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S2/c1-12(2)16(21-28(24,25)14-6-4-3-5-7-14)18(23)26-11-15(22)20-17-13(10-19)8-9-27-17/h3-9,12,16,21H,11H2,1-2H3,(H,20,22)