propan-2-yl 4-cyano-5-[3-(4-methoxyphenyl)propanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: propan-2-yl 4-cyano-5-[3-(4-methoxyphenyl)propanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 4-cyano-5-[3-(4-methoxyphenyl)propanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]-3-methyl-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-5-[3-(4-methoxyphenyl)propanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-(4-methoxyphenyl)propanoylamino]-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CCC2=CC=C(C=C2)OC)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CCC2=CC=C(C=C2)OC)C(=O)OC(C)C

InChI

InChI=1S/C20H22N2O4S/c1-12(2)26-20(24)18-13(3)16(11-21)19(27-18)22-17(23)10-7-14-5-8-15(25-4)9-6-14/h5-6,8-9,12H,7,10H2,1-4H3,(H,22,23)