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

Systemtic Name: methyl 4-cyano-5-(3,3-diphenylpropanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-cyano-5-(3,3-diphenylpropanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-(3,3-diphenylpropanoylamino)-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H20N2O3S/c1-15-19(14-24)22(29-21(15)23(27)28-2)25-20(26)13-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13H2,1-2H3,(H,25,26)