6-bromanyl-2-[[4-[(4-methoxycarbonylphenyl)sulfanylmethyl]phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-[[4-[(4-methoxycarbonylphenyl)sulfanylmethyl]phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-[(4-methoxycarbonylphenyl)sulfanylmethyl]phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-[[(4-methoxycarbonylphenyl)thio]methyl]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-[(4-methoxycarbonylphenyl)sulfanylmethyl]phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[4-[[(4-carbomethoxyphenyl)thio]methyl]benzyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C32H24BrNO5S MolecularWeight: 614.50566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SCC2=CC=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SCC2=CC=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C32H24BrNO5S/c1-39-32(38)23-11-14-25(15-12-23)40-19-21-9-7-20(8-10-21)18-34-29(31(36)37)28(22-5-3-2-4-6-22)27-17-24(33)13-16-26(27)30(34)35/h2-17H,18-19H2,1H3,(H,36,37)