methyl 2-[[4-(phenoxymethyl)thiophen-2-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(phenoxymethyl)thiophen-2-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[4-(phenoxymethyl)thiophene-2-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[4-(phenoxymethyl)-2-thiophenyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(phenoxymethyl)thiophene-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-(phenoxymethyl)thiophene-2-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H21NO4S2 MolecularWeight: 427.53644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=CS3)COC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=CS3)COC4=CC=CC=C4

InChI

InChI=1S/C22H21NO4S2/c1-26-22(25)19-16-9-5-6-10-17(16)29-21(19)23-20(24)18-11-14(13-28-18)12-27-15-7-3-2-4-8-15/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3,(H,23,24)