methyl 2-[2-(3,4-dimethoxyphenyl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-(homoveratroylamino)-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC)OC

InChI

InChI=1S/C22H21NO5S/c1-26-17-10-9-14(11-18(17)27-2)12-19(24)23-21-20(22(25)28-3)16(13-29-21)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H,23,24)