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

Systemtic Name: 1-(1-phenylethyl)-3-(2-sulfanylethyl)indole-2-carboxylic acid Openeye Name: 1-(1-phenylethyl)-3-(2-sulfanylethyl)indole-2-carboxylic acid CAS Name: 3-(2-mercaptoethyl)-1-(1-phenylethyl)-2-indolecarboxylic acid IUPAC Name: 1-(1-phenylethyl)-3-(2-sulfanylethyl)indole-2-carboxylic acid Traditional Name: 3-(2-mercaptoethyl)-1-(1-phenylethyl)indole-2-carboxylic acid Formula: C19H19NO2S MolecularWeight: 325.42466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO2S/c1-13(14-7-3-2-4-8-14)20-17-10-6-5-9-15(17)16(11-12-23)18(20)19(21)22/h2-10,13,23H,11-12H2,1H3,(H,21,22)