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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-thiophenecarboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)C

InChI

InChI=1S/C19H20N2O3S/c1-3-4-15-11-17(25-13(15)2)19(23)24-12-18(22)21-16-7-5-14(6-8-16)9-10-20/h5-8,11H,3-4,9,12H2,1-2H3,(H,21,22)