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

Systemtic Name: [2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(2-ethoxyanilino)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-(2-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethoxyanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-keto-2-(o-phenetidino)ethyl] ester Formula: C19H21NO4S MolecularWeight: 359.43934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)COC(=O)C2=CSC3=C2CCCC3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)COC(=O)C2=CSC3=C2CCCC3

InChI

InChI=1S/C19H21NO4S/c1-2-23-16-9-5-4-8-15(16)20-18(21)11-24-19(22)14-12-25-17-10-6-3-7-13(14)17/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,20,21)