methyl 5-[2-(3,4-dimethoxyphenyl)ethanoylamino]-3-ethoxy-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-(3,4-dimethoxyphenyl)ethanoylamino]-3-ethoxy-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-ethoxy-benzothiophene-2-carboxylate CAS Name: 5-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]-3-ethoxy-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-ethoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-ethoxy-5-(homoveratroylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C22H23NO6S MolecularWeight: 429.48612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(SC2=C1C=C(C=C2)NC(=O)CC3=CC(=C(C=C3)OC)OC)C(=O)OC

Isomeric SMILES

CCOC1=C(SC2=C1C=C(C=C2)NC(=O)CC3=CC(=C(C=C3)OC)OC)C(=O)OC

InChI

InChI=1S/C22H23NO6S/c1-5-29-20-15-12-14(7-9-18(15)30-21(20)22(25)28-4)23-19(24)11-13-6-8-16(26-2)17(10-13)27-3/h6-10,12H,5,11H2,1-4H3,(H,23,24)