6-bromanyl-1-oxidanylidene-4-phenyl-2-(1,3-thiazol-4-ylmethyl)isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-1-oxidanylidene-4-phenyl-2-(1,3-thiazol-4-ylmethyl)isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-1-oxo-4-phenyl-2-(thiazol-4-ylmethyl)isoquinoline-3-carboxylic acid CAS Name: 6-bromo-1-oxo-4-phenyl-2-(4-thiazolylmethyl)-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-1-oxo-4-phenyl-2-(1,3-thiazol-4-ylmethyl)isoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-4-phenyl-2-(thiazol-4-ylmethyl)isoquinoline-3-carboxylic acid Formula: C20H13BrN2O3S MolecularWeight: 441.29782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CSC=N4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CSC=N4)C(=O)O

InChI

InChI=1S/C20H13BrN2O3S/c21-13-6-7-15-16(8-13)17(12-4-2-1-3-5-12)18(20(25)26)23(19(15)24)9-14-10-27-11-22-14/h1-8,10-11H,9H2,(H,25,26)