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

Systemtic Name: 1-(phenylmethyl)-3-(2-sulfanylethyl)indole-2-carboxylic acid Openeye Name: 1-benzyl-3-(2-sulfanylethyl)indole-2-carboxylic acid CAS Name: 3-(2-mercaptoethyl)-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-3-(2-sulfanylethyl)indole-2-carboxylic acid Traditional Name: 1-benzyl-3-(2-mercaptoethyl)indole-2-carboxylic acid Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)CCS

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)CCS

InChI

InChI=1S/C18H17NO2S/c20-18(21)17-15(10-11-22)14-8-4-5-9-16(14)19(17)12-13-6-2-1-3-7-13/h1-9,22H,10-12H2,(H,20,21)