methyl 11-[2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl 11-[2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-[2-[4-(2-keto-3H-benzimidazol-1-yl)piperidino]ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C30H31N3O4S MolecularWeight: 529.64984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCN4CCC(CC4)N5C6=CC=CC=C6NC5=O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCN4CCC(CC4)N5C6=CC=CC=C6NC5=O

InChI

InChI=1S/C30H31N3O4S/c1-36-29(34)20-10-11-27-24(18-20)28(23-7-3-2-6-21(23)19-37-27)38-17-16-32-14-12-22(13-15-32)33-26-9-5-4-8-25(26)31-30(33)35/h2-11,18,22,28H,12-17,19H2,1H3,(H,31,35)