methyl 5-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-ylmethyl)thiophene-2-carboxylate

Systemtic Name: methyl 5-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-ylmethyl)thiophene-2-carboxylate Openeye Name: methyl 5-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-ylmethyl)thiophene-2-carboxylate CAS Name: 5-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-ylmethyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-ylmethyl)thiophene-2-carboxylate Traditional Name: 5-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-ylmethyl)thiophene-2-carboxylic acid methyl ester Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)CN2CC3=CC=CC=C3NC4=CC=CC=C42

Isomeric SMILES

COC(=O)C1=CC=C(S1)CN2CC3=CC=CC=C3NC4=CC=CC=C42

InChI

InChI=1S/C20H18N2O2S/c1-24-20(23)19-11-10-15(25-19)13-22-12-14-6-2-3-7-16(14)21-17-8-4-5-9-18(17)22/h2-11,21H,12-13H2,1H3