(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C20H20N2O4S2/c1-20(2,3)16(23)11-26-19(25)14-6-4-5-7-15(14)28-12-17(24)22-18-13(10-21)8-9-27-18/h4-9H,11-12H2,1-3H3,(H,22,24)