1-[(6-chloranyl-3H-1,2-benzodioxol-5-yl)methyl]-5-[(4-methylsulfanylphenyl)methoxy]-3-phenyl-indole-2-carboxylic acid

Systemtic Name: 1-[(6-chloranyl-3H-1,2-benzodioxol-5-yl)methyl]-5-[(4-methylsulfanylphenyl)methoxy]-3-phenyl-indole-2-carboxylic acid Openeye Name: 1-[(6-chloro-3H-1,2-benzodioxol-5-yl)methyl]-5-[(4-methylsulfanylphenyl)methoxy]-3-phenyl-indole-2-carboxylic acid CAS Name: 1-[(6-chloro-3H-1,2-benzodioxol-5-yl)methyl]-5-[[4-(methylthio)phenyl]methoxy]-3-phenyl-2-indolecarboxylic acid IUPAC Name: 1-[(6-chloro-3H-1,2-benzodioxol-5-yl)methyl]-5-[(4-methylsulfanylphenyl)methoxy]-3-phenylindole-2-carboxylic acid Traditional Name: 1-[(6-chloro-3H-1,2-benzodioxol-5-yl)methyl]-5-[4-(methylthio)benzyl]oxy-3-phenyl-indole-2-carboxylic acid Formula: C31H24ClNO5S MolecularWeight: 558.04396

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3C4=CC=CC=C4)C(=O)O)CC5=C(C=C6C(=C5)COO6)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3C4=CC=CC=C4)C(=O)O)CC5=C(C=C6C(=C5)COO6)Cl

InChI

InChI=1S/C31H24ClNO5S/c1-39-24-10-7-19(8-11-24)17-36-23-9-12-27-25(14-23)29(20-5-3-2-4-6-20)30(31(34)35)33(27)16-21-13-22-18-37-38-28(22)15-26(21)32/h2-15H,16-18H2,1H3,(H,34,35)