methyl 2-methylsulfanyl-3-(5-oxidanylidene-2H-pyrrol-1-yl)benzoate hydrochloride

Systemtic Name: methyl 2-methylsulfanyl-3-(5-oxidanylidene-2H-pyrrol-1-yl)benzoate hydrochloride Openeye Name: methyl 2-methylsulfanyl-3-(5-oxo-2H-pyrrol-1-yl)benzoate hydrochloride CAS Name: 2-(methylthio)-3-(5-oxo-2H-pyrrol-1-yl)benzoic acid methyl ester hydrochloride IUPAC Name: methyl 2-methylsulfanyl-3-(5-oxo-2H-pyrrol-1-yl)benzoate hydrochloride Traditional Name: 3-(2-keto-3-pyrrolin-1-yl)-2-(methylthio)benzoic acid methyl ester hydrochloride Formula: C13H14ClNO3S MolecularWeight: 299.77316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)N2CC=CC2=O)SC.Cl

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)N2CC=CC2=O)SC.Cl

InChI

InChI=1S/C13H13NO3S.ClH/c1-17-13(16)9-5-3-6-10(12(9)18-2)14-8-4-7-11(14)15;/h3-7H,8H2,1-2H3;1H