methyl 2-[2-(5-ethoxycarbonyl-1-ethyl-benzimidazol-2-yl)sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-[2-(5-ethoxycarbonyl-1-ethyl-benzimidazol-2-yl)sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-[2-(5-ethoxycarbonyl-1-ethyl-benzimidazol-2-yl)sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[2-[(5-ethoxycarbonyl-1-ethyl-2-benzimidazolyl)thio]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(5-ethoxycarbonyl-1-ethylbenzimidazol-2-yl)sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[2-[(5-carbethoxy-1-ethyl-benzimidazol-2-yl)thio]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C25H27N3O5S MolecularWeight: 481.56398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)N3CC4=CC=CC=C4CC3C(=O)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)N3CC4=CC=CC=C4CC3C(=O)OC

InChI

InChI=1S/C25H27N3O5S/c1-4-27-20-11-10-17(23(30)33-5-2)12-19(20)26-25(27)34-15-22(29)28-14-18-9-7-6-8-16(18)13-21(28)24(31)32-3/h6-12,21H,4-5,13-15H2,1-3H3