propan-2-yl 4-cyano-5-[2-(3,4-dimethoxyphenyl)ethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: propan-2-yl 4-cyano-5-[2-(3,4-dimethoxyphenyl)ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 4-cyano-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-(homoveratroylamino)-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CC2=CC(=C(C=C2)OC)OC)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CC2=CC(=C(C=C2)OC)OC)C(=O)OC(C)C

InChI

InChI=1S/C20H22N2O5S/c1-11(2)27-20(24)18-12(3)14(10-21)19(28-18)22-17(23)9-13-6-7-15(25-4)16(8-13)26-5/h6-8,11H,9H2,1-5H3,(H,22,23)