5-[(6-oxidanylidene-11H-benzo[b][1,4]benzodiazepin-5-yl)methyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(6-oxidanylidene-11H-benzo[b][1,4]benzodiazepin-5-yl)methyl]thiophene-2-carboxylic acid Openeye Name: 5-[(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)methyl]thiophene-2-carboxylic acid CAS Name: 5-[(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)methyl]thiophene-2-carboxylic acid Traditional Name: 5-[(6-keto-11H-benzo[b][1,4]benzodiazepin-5-yl)methyl]-2-thenoic acid Formula: C19H14N2O3S MolecularWeight: 350.39106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C3=CC=CC=C3N2)CC4=CC=C(S4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C3=CC=CC=C3N2)CC4=CC=C(S4)C(=O)O

InChI

InChI=1S/C19H14N2O3S/c22-18-13-5-1-2-6-14(13)20-15-7-3-4-8-16(15)21(18)11-12-9-10-17(25-12)19(23)24/h1-10,20H,11H2,(H,23,24)