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

Systemtic Name: 5-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-ylmethyl)thiophene-2-carboxylic acid Openeye Name: 5-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-ylmethyl)thiophene-2-carboxylic acid CAS Name: 5-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-ylmethyl)-2-thiophenecarboxylic acid IUPAC Name: 5-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-ylmethyl)thiophene-2-carboxylic acid Traditional Name: 5-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-ylmethyl)-2-thenoic acid Formula: C19H16N2O2S MolecularWeight: 336.40754

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2NC3=CC=CC=C3N1CC4=CC=C(S4)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2NC3=CC=CC=C3N1CC4=CC=C(S4)C(=O)O

InChI

InChI=1S/C19H16N2O2S/c22-19(23)18-10-9-14(24-18)12-21-11-13-5-1-2-6-15(13)20-16-7-3-4-8-17(16)21/h1-10,20H,11-12H2,(H,22,23)