[2-[(2-imidazol-1-ylphenyl)methyl]-4,5-dihydro-1-benzothiophen-6-yl] hydrogen carbonate

Systemtic Name: [2-[(2-imidazol-1-ylphenyl)methyl]-4,5-dihydro-1-benzothiophen-6-yl] hydrogen carbonate Openeye Name: [2-[(2-imidazol-1-ylphenyl)methyl]-4,5-dihydrobenzothiophen-6-yl] hydrogen carbonate CAS Name: carbonic acid [2-[[2-(1-imidazolyl)phenyl]methyl]-4,5-dihydro-1-benzothiophen-6-yl] ester IUPAC Name: [2-[(2-imidazol-1-ylphenyl)methyl]-4,5-dihydro-1-benzothiophen-6-yl] hydrogen carbonate Traditional Name: carbonic acid [2-(2-imidazol-1-ylbenzyl)-4,5-dihydrobenzothiophen-6-yl] ester Formula: C19H16N2O3S MolecularWeight: 352.40694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C1OC(=O)O)SC(=C2)CC3=CC=CC=C3N4C=CN=C4

Isomeric SMILES

C1CC2=C(C=C1OC(=O)O)SC(=C2)CC3=CC=CC=C3N4C=CN=C4

InChI

InChI=1S/C19H16N2O3S/c22-19(23)24-15-6-5-14-10-16(25-18(14)11-15)9-13-3-1-2-4-17(13)21-8-7-20-12-21/h1-4,7-8,10-12H,5-6,9H2,(H,22,23)