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

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate CAS Name: 5-ethyl-4-methyl-2-thiophenecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate Traditional Name: 5-ethyl-4-methyl-thiophene-2-carboxylic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)C

InChI

InChI=1S/C18H18N2O3S/c1-3-15-13(2)11-16(24-15)18(22)23-12-17(21)20(10-9-19)14-7-5-4-6-8-14/h4-8,11H,3,10,12H2,1-2H3