1-[(4-bromanyl-3-carboxy-phenyl)methyl]-3-(2-sulfanylethyl)indole-2-carboxylic acid

Systemtic Name: 1-[(4-bromanyl-3-carboxy-phenyl)methyl]-3-(2-sulfanylethyl)indole-2-carboxylic acid Openeye Name: 1-[(4-bromo-3-carboxy-phenyl)methyl]-3-(2-sulfanylethyl)indole-2-carboxylic acid CAS Name: 1-[(4-bromo-3-carboxyphenyl)methyl]-3-(2-mercaptoethyl)-2-indolecarboxylic acid IUPAC Name: 1-[(4-bromo-3-carboxyphenyl)methyl]-3-(2-sulfanylethyl)indole-2-carboxylic acid Traditional Name: 1-(4-bromo-3-carboxy-benzyl)-3-(2-mercaptoethyl)indole-2-carboxylic acid Formula: C19H16BrNO4S MolecularWeight: 434.30364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2CC3=CC(=C(C=C3)Br)C(=O)O)C(=O)O)CCS

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2CC3=CC(=C(C=C3)Br)C(=O)O)C(=O)O)CCS

InChI

InChI=1S/C19H16BrNO4S/c20-15-6-5-11(9-14(15)18(22)23)10-21-16-4-2-1-3-12(16)13(7-8-26)17(21)19(24)25/h1-6,9,26H,7-8,10H2,(H,22,23)(H,24,25)