methyl 2-[2-(3-cyanophenyl)carbonyloxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3-cyanophenyl)carbonyloxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-cyanobenzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-cyanophenyl)-oxomethoxy]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-cyanobenzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-cyanobenzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H18N2O5S/c1-26-20(25)17-14-7-2-3-8-15(14)28-18(17)22-16(23)11-27-19(24)13-6-4-5-12(9-13)10-21/h4-6,9H,2-3,7-8,11H2,1H3,(H,22,23)