1-(3-tert-butyl-5-carboxy-phenyl)-3-(2-sulfanylethyl)indole-2-carboxylic acid

Systemtic Name: 1-(3-tert-butyl-5-carboxy-phenyl)-3-(2-sulfanylethyl)indole-2-carboxylic acid Openeye Name: 1-(3-tert-butyl-5-carboxy-phenyl)-3-(2-sulfanylethyl)indole-2-carboxylic acid CAS Name: 1-(3-tert-butyl-5-carboxyphenyl)-3-(2-mercaptoethyl)-2-indolecarboxylic acid IUPAC Name: 1-(3-tert-butyl-5-carboxyphenyl)-3-(2-sulfanylethyl)indole-2-carboxylic acid Traditional Name: 1-(3-tert-butyl-5-carboxy-phenyl)-3-(2-mercaptoethyl)indole-2-carboxylic acid Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)O)N2C3=CC=CC=C3C(=C2C(=O)O)CCS

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)O)N2C3=CC=CC=C3C(=C2C(=O)O)CCS

InChI

InChI=1S/C22H23NO4S/c1-22(2,3)14-10-13(20(24)25)11-15(12-14)23-18-7-5-4-6-16(18)17(8-9-28)19(23)21(26)27/h4-7,10-12,28H,8-9H2,1-3H3,(H,24,25)(H,26,27)