5-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)-2-sulfanyl-benzoic acid

Systemtic Name: 5-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)-2-sulfanyl-benzoic acid Openeye Name: 5-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)-2-sulfanyl-benzoic acid CAS Name: 2-mercapto-5-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzoic acid IUPAC Name: 5-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)-2-sulfanylbenzoic acid Traditional Name: 2-mercapto-5-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzoic acid Formula: C21H19NO2S MolecularWeight: 349.44606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(N2C3=CC(=C(C=C3)S)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C=C(N2C3=CC(=C(C=C3)S)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H19NO2S/c23-21(24)17-13-16(10-11-20(17)25)22-18-9-5-4-8-15(18)12-19(22)14-6-2-1-3-7-14/h1-3,6-7,10-13,25H,4-5,8-9H2,(H,23,24)