(E)-3-[3-(1H-indol-3-ylsulfanyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-(1H-indol-3-ylsulfanyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(1H-indol-3-ylsulfanyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-(1H-indol-3-ylthio)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(1H-indol-3-ylsulfanyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(1H-indol-3-ylthio)phenyl]acrylic acid Formula: C17H13NO2S MolecularWeight: 295.35562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)SC3=CC=CC(=C3)C=CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)SC3=CC=CC(=C3)/C=C/C(=O)O

InChI

InChI=1S/C17H13NO2S/c19-17(20)9-8-12-4-3-5-13(10-12)21-16-11-18-15-7-2-1-6-14(15)16/h1-11,18H,(H,19,20)/b9-8+