2-[4-(phenylcarbonylsulfanyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[4-(phenylcarbonylsulfanyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-(4-benzoylsulfanyl-1H-indol-3-yl)acetic acid CAS Name: 2-[4-(benzoylthio)-1H-indol-3-yl]acetic acid IUPAC Name: 2-(4-benzoylsulfanyl-1H-indol-3-yl)acetic acid Traditional Name: 2-[4-(benzoylthio)-1H-indol-3-yl]acetic acid Formula: C17H13NO3S MolecularWeight: 311.35502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SC2=CC=CC3=C2C(=CN3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SC2=CC=CC3=C2C(=CN3)CC(=O)O

InChI

InChI=1S/C17H13NO3S/c19-15(20)9-12-10-18-13-7-4-8-14(16(12)13)22-17(21)11-5-2-1-3-6-11/h1-8,10,18H,9H2,(H,19,20)