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

Systemtic Name: methyl 2-[3-(phenylsulfonyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(benzenesulfonyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(benzenesulfonyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(3-besylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO5S2/c1-25-19(22)17-14-9-5-6-10-15(14)26-18(17)20-16(21)11-12-27(23,24)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3,(H,20,21)