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

Systemtic Name: 1-[(2-carboxy-5-methoxy-phenyl)methyl]-3-(2-sulfanylethyl)indole-2-carboxylic acid Openeye Name: 1-[(2-carboxy-5-methoxy-phenyl)methyl]-3-(2-sulfanylethyl)indole-2-carboxylic acid CAS Name: 1-[(2-carboxy-5-methoxyphenyl)methyl]-3-(2-mercaptoethyl)-2-indolecarboxylic acid IUPAC Name: 1-[(2-carboxy-5-methoxyphenyl)methyl]-3-(2-sulfanylethyl)indole-2-carboxylic acid Traditional Name: 1-(2-carboxy-5-methoxy-benzyl)-3-(2-mercaptoethyl)indole-2-carboxylic acid Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)O)CN2C3=CC=CC=C3C(=C2C(=O)O)CCS

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)O)CN2C3=CC=CC=C3C(=C2C(=O)O)CCS

InChI

InChI=1S/C20H19NO5S/c1-26-13-6-7-14(19(22)23)12(10-13)11-21-17-5-3-2-4-15(17)16(8-9-27)18(21)20(24)25/h2-7,10,27H,8-9,11H2,1H3,(H,22,23)(H,24,25)