[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C19H21NO5S MolecularWeight: 375.43874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CSC3=C2CCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CSC3=C2CCCC3)OC

InChI

InChI=1S/C19H21NO5S/c1-23-13-7-12(8-14(9-13)24-2)20-18(21)10-25-19(22)16-11-26-17-6-4-3-5-15(16)17/h7-9,11H,3-6,10H2,1-2H3,(H,20,21)