2-[(5,6-dimethoxyindol-1-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(5,6-dimethoxyindol-1-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(5,6-dimethoxyindol-1-yl)methylsulfanyl]acetic acid CAS Name: 2-[(5,6-dimethoxy-1-indolyl)methylthio]acetic acid IUPAC Name: 2-[(5,6-dimethoxyindol-1-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(5,6-dimethoxyindol-1-yl)methylthio]acetic acid Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN2CSCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN2CSCC(=O)O)OC

InChI

InChI=1S/C13H15NO4S/c1-17-11-5-9-3-4-14(8-19-7-13(15)16)10(9)6-12(11)18-2/h3-6H,7-8H2,1-2H3,(H,15,16)