1-[(3-bromanyl-5-carboxy-phenyl)methyl]-3-(2-sulfanylethyl)indole-2-carboxylic acid

Systemtic Name: 1-[(3-bromanyl-5-carboxy-phenyl)methyl]-3-(2-sulfanylethyl)indole-2-carboxylic acid Openeye Name: 1-[(3-bromo-5-carboxy-phenyl)methyl]-3-(2-sulfanylethyl)indole-2-carboxylic acid CAS Name: 1-[(3-bromo-5-carboxyphenyl)methyl]-3-(2-mercaptoethyl)-2-indolecarboxylic acid IUPAC Name: 1-[(3-bromo-5-carboxyphenyl)methyl]-3-(2-sulfanylethyl)indole-2-carboxylic acid Traditional Name: 1-(3-bromo-5-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(=CC(=C3)C(=O)O)Br)C(=O)O)CCS

Isomeric SMILES

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

InChI

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