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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate CAS Name: 5-ethyl-4-methyl-2-thiophenecarboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate Traditional Name: 5-ethyl-4-methyl-thiophene-2-carboxylic acid [2-[4-(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)NC2=CC=C(C=C2)CC#N)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)C

InChI

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