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

Systemtic Name: methyl 5-[(6-oxidanylidene-11H-benzo[b][1,4]benzodiazepin-5-yl)methyl]thiophene-2-carboxylate Openeye Name: methyl 5-[(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)methyl]thiophene-2-carboxylate CAS Name: 5-[(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)methyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)methyl]thiophene-2-carboxylate Traditional Name: 5-[(6-keto-11H-benzo[b][1,4]benzodiazepin-5-yl)methyl]thiophene-2-carboxylic acid methyl ester Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)CN2C3=CC=CC=C3NC4=CC=CC=C4C2=O

Isomeric SMILES

COC(=O)C1=CC=C(S1)CN2C3=CC=CC=C3NC4=CC=CC=C4C2=O

InChI

InChI=1S/C20H16N2O3S/c1-25-20(24)18-11-10-13(26-18)12-22-17-9-5-4-8-16(17)21-15-7-3-2-6-14(15)19(22)23/h2-11,21H,12H2,1H3