[1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-ethylsulfinylbenzoate

Systemtic Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-ethylsulfinylbenzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 2-ethylsulfinylbenzoate CAS Name: 2-ethylsulfinylbenzoic acid [1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 2-ethylsulfinylbenzoate Traditional Name: 2-ethylsulfinylbenzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=CC=CC=C1C(=O)OC(C)C(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CCS(=O)C1=CC=CC=C1C(=O)OC(C)C(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C17H16N2O4S2/c1-3-25(22)14-7-5-4-6-13(14)17(21)23-11(2)15(20)19-16-12(10-18)8-9-24-16/h4-9,11H,3H2,1-2H3,(H,19,20)