2-(2-methanoyl-1-methyl-indol-3-yl)sulfanylethanoic acid

Systemtic Name: 2-(2-methanoyl-1-methyl-indol-3-yl)sulfanylethanoic acid Openeye Name: 2-(2-formyl-1-methyl-indol-3-yl)sulfanylacetic acid CAS Name: 2-[(2-formyl-1-methyl-3-indolyl)thio]acetic acid IUPAC Name: 2-(2-formyl-1-methylindol-3-yl)sulfanylacetic acid Traditional Name: 2-[(2-formyl-1-methyl-indol-3-yl)thio]acetic acid Formula: C12H11NO3S MolecularWeight: 249.28564

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C=O)SCC(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C=O)SCC(=O)O

InChI

InChI=1S/C12H11NO3S/c1-13-9-5-3-2-4-8(9)12(10(13)6-14)17-7-11(15)16/h2-6H,7H2,1H3,(H,15,16)