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

Systemtic Name: propan-2-yl 4-cyano-5-(3,3-diphenylpropanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-5-(3,3-diphenylpropanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-(3,3-diphenylpropanoylamino)-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C25H24N2O3S MolecularWeight: 432.53466

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O3S/c1-16(2)30-25(29)23-17(3)21(15-26)24(31-23)27-22(28)14-20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16,20H,14H2,1-3H3,(H,27,28)