1-(3-carboxyphenyl)-3-(2-sulfanylethyl)indole-2-carboxylic acid

Systemtic Name: 1-(3-carboxyphenyl)-3-(2-sulfanylethyl)indole-2-carboxylic acid Openeye Name: 1-(3-carboxyphenyl)-3-(2-sulfanylethyl)indole-2-carboxylic acid CAS Name: 1-(3-carboxyphenyl)-3-(2-mercaptoethyl)-2-indolecarboxylic acid IUPAC Name: 1-(3-carboxyphenyl)-3-(2-sulfanylethyl)indole-2-carboxylic acid Traditional Name: 1-(3-carboxyphenyl)-3-(2-mercaptoethyl)indole-2-carboxylic acid Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2C3=CC=CC(=C3)C(=O)O)C(=O)O)CCS

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2C3=CC=CC(=C3)C(=O)O)C(=O)O)CCS

InChI

InChI=1S/C18H15NO4S/c20-17(21)11-4-3-5-12(10-11)19-15-7-2-1-6-13(15)14(8-9-24)16(19)18(22)23/h1-7,10,24H,8-9H2,(H,20,21)(H,22,23)