ethyl 4-cyano-5-(3,3-diphenylpropanoylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-(3,3-diphenylpropanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-(3,3-diphenylpropanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[(1-oxo-3,3-diphenylpropyl)amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-(3,3-diphenylpropanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-(3,3-diphenylpropanoylamino)-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)C#N)C

InChI

InChI=1S/C24H22N2O3S/c1-3-29-24(28)22-16(2)20(15-25)23(30-22)26-21(27)14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19H,3,14H2,1-2H3,(H,26,27)