4-[3-(2-oxidanylidene-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)phenyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[3-(2-oxidanylidene-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)phenyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[3-(2-oxo-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)phenyl]thiazole-2-carboxylic acid CAS Name: 4-[3-[2-oxo-8-(1-pyrrolyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]phenyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[3-(2-oxo-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)phenyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[3-(2-keto-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)phenyl]thiazole-2-carboxylic acid Formula: C23H16N4O3S MolecularWeight: 428.46314

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)N3C=CC=C3)NC1=O)C4=CC=CC(=C4)C5=CSC(=N5)C(=O)O

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)N3C=CC=C3)NC1=O)C4=CC=CC(=C4)C5=CSC(=N5)C(=O)O

InChI

InChI=1S/C23H16N4O3S/c28-21-12-18(14-4-3-5-15(10-14)20-13-31-22(26-20)23(29)30)24-17-7-6-16(11-19(17)25-21)27-8-1-2-9-27/h1-11,13H,12H2,(H,25,28)(H,29,30)