[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-ethyl-5-methyl-thiophene-2-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-ethyl-5-methyl-thiophene-2-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 4-ethyl-5-methyl-thiophene-2-carboxylate CAS Name: 4-ethyl-5-methyl-2-thiophenecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate Traditional Name: 4-ethyl-5-methyl-thiophene-2-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N)C

Isomeric SMILES

CCC1=C(SC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N)C

InChI

InChI=1S/C18H18N2O3S2/c1-3-13-10-16(25-12(13)2)18(22)23-11-17(21)20-14-6-4-5-7-15(14)24-9-8-19/h4-7,10H,3,9,11H2,1-2H3,(H,20,21)