[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-ethyl-4-methyl-thiophene-2-carboxylate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-ethyl-4-methyl-thiophene-2-carboxylate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate CAS Name: 5-ethyl-4-methyl-2-thiophenecarboxylic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate Traditional Name: 5-ethyl-4-methyl-thiophene-2-carboxylic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-4-15-11(2)8-16(24-15)18(22)23-12(3)17(21)20-14-7-5-6-13(9-14)10-19/h5-9,12H,4H2,1-3H3,(H,20,21)