3-[(2-phenyl-1H-indol-3-yl)methylsulfanyl]propanoate

Systemtic Name: 3-[(2-phenyl-1H-indol-3-yl)methylsulfanyl]propanoate Openeye Name: 3-[(2-phenyl-1H-indol-3-yl)methylsulfanyl]propanoate CAS Name: 3-[(2-phenyl-1H-indol-3-yl)methylthio]propanoate IUPAC Name: 3-[(2-phenyl-1H-indol-3-yl)methylsulfanyl]propanoate Traditional Name: 3-[(2-phenyl-1H-indol-3-yl)methylthio]propionate Formula: C18H16NO2S- MolecularWeight: 310.39014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CSCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CSCCC(=O)[O-]

InChI

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