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6-bromanyl-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylic acid

6-bromanyl-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylic acid

Systemtic Name:6-bromanyl-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylic acid
Openeye Name:6-bromo-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylic acid
CAS Name:6-bromo-5-methoxy-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid
IUPAC Name:6-bromo-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylic acid
Traditional Name:6-bromo-5-methoxy-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylic acid
Formula: C18H16BrNO3S
MolecularWeight: 406.29354
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2C(=C1CSC3=CC=CC=C3)C(=O)O)OC)Br


Isomeric SMILES

CN1C2=CC(=C(C=C2C(=C1CSC3=CC=CC=C3)C(=O)O)OC)Br


InChI

InChI=1S/C18H16BrNO3S/c1-20-14-9-13(19)16(23-2)8-12(14)17(18(21)22)15(20)10-24-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,21,22)


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