methyl 3-(1-methylimidazol-2-yl)sulfanylbutanoate

Systemtic Name: methyl 3-(1-methylimidazol-2-yl)sulfanylbutanoate Openeye Name: methyl 3-(1-methylimidazol-2-yl)sulfanylbutanoate CAS Name: 3-[(1-methyl-2-imidazolyl)thio]butanoic acid methyl ester IUPAC Name: methyl 3-(1-methylimidazol-2-yl)sulfanylbutanoate Traditional Name: 3-[(1-methylimidazol-2-yl)thio]butyric acid methyl ester Formula: C9H14N2O2S MolecularWeight: 214.28466

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)SC1=NC=CN1C

Isomeric SMILES

CC(CC(=O)OC)SC1=NC=CN1C

InChI

InChI=1S/C9H14N2O2S/c1-7(6-8(12)13-3)14-9-10-4-5-11(9)2/h4-5,7H,6H2,1-3H3