methyl 2-methyl-3-sulfanyl-benzoate

Systemtic Name: methyl 2-methyl-3-sulfanyl-benzoate Openeye Name: methyl 2-methyl-3-sulfanyl-benzoate CAS Name: 3-mercapto-2-methylbenzoic acid methyl ester IUPAC Name: methyl 2-methyl-3-sulfanylbenzoate Traditional Name: 3-mercapto-2-methyl-benzoic acid methyl ester Formula: C9H10O2S MolecularWeight: 182.2395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1S)C(=O)OC

InChI

InChI=1S/C9H10O2S/c1-6-7(9(10)11-2)4-3-5-8(6)12/h3-5,12H,1-2H3