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

Systemtic Name: 6-bromanyl-1-oxidanylidene-4-phenyl-2-(thiophen-2-ylmethyl)isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-1-oxo-4-phenyl-2-(2-thienylmethyl)isoquinoline-3-carboxylic acid CAS Name: 6-bromo-1-oxo-4-phenyl-2-(thiophen-2-ylmethyl)-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-1-oxo-4-phenyl-2-(thiophen-2-ylmethyl)isoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-4-phenyl-2-(2-thenyl)isoquinoline-3-carboxylic acid Formula: C21H14BrNO3S MolecularWeight: 440.30976

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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=CC=CS4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC=CS4)C(=O)O

InChI

InChI=1S/C21H14BrNO3S/c22-14-8-9-16-17(11-14)18(13-5-2-1-3-6-13)19(21(25)26)23(20(16)24)12-15-7-4-10-27-15/h1-11H,12H2,(H,25,26)