methyl 2-(2-benzo[e][1]benzofuran-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(2-benzo[e][1]benzofuran-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-benzo[e]benzofuran-1-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(1-benzo[e]benzofuranyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-benzo[e]benzofuran-1-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H21NO4S MolecularWeight: 419.49284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3=COC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3=COC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C24H21NO4S/c1-28-24(27)22-17-8-4-5-9-19(17)30-23(22)25-20(26)12-15-13-29-18-11-10-14-6-2-3-7-16(14)21(15)18/h2-3,6-7,10-11,13H,4-5,8-9,12H2,1H3,(H,25,26)