2-[(5-methoxyindol-1-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(5-methoxyindol-1-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(5-methoxyindol-1-yl)methylsulfanyl]acetic acid CAS Name: 2-[(5-methoxy-1-indolyl)methylthio]acetic acid IUPAC Name: 2-[(5-methoxyindol-1-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(5-methoxyindol-1-yl)methylthio]acetic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2)CSCC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2)CSCC(=O)O

InChI

InChI=1S/C12H13NO3S/c1-16-10-2-3-11-9(6-10)4-5-13(11)8-17-7-12(14)15/h2-6H,7-8H2,1H3,(H,14,15)