methyl 2-[(2-methyl-5-phenyl-1,2-thiazol-2-ium-3-yl)sulfanyl]-3-oxidanylidene-pentanoate chloride

Systemtic Name: methyl 2-[(2-methyl-5-phenyl-1,2-thiazol-2-ium-3-yl)sulfanyl]-3-oxidanylidene-pentanoate chloride Openeye Name: methyl 2-(2-methyl-5-phenyl-isothiazol-2-ium-3-yl)sulfanyl-3-oxo-pentanoate chloride CAS Name: 2-[(2-methyl-5-phenyl-3-isothiazol-2-iumyl)thio]-3-oxopentanoic acid methyl ester chloride IUPAC Name: methyl 2-[(2-methyl-5-phenyl-1,2-thiazol-2-ium-3-yl)sulfanyl]-3-oxopentanoate chloride Traditional Name: 3-keto-2-[(2-methyl-5-phenyl-isothiazol-2-ium-3-yl)thio]valeric acid methyl ester chloride Formula: C16H18ClNO3S2 MolecularWeight: 371.90202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(=O)OC)SC1=[N+](SC(=C1)C2=CC=CC=C2)C.[Cl-]

Isomeric SMILES

CCC(=O)C(C(=O)OC)SC1=[N+](SC(=C1)C2=CC=CC=C2)C.[Cl-]

InChI

InChI=1S/C16H18NO3S2.ClH/c1-4-12(18)15(16(19)20-3)21-14-10-13(22-17(14)2)11-8-6-5-7-9-11;/h5-10,15H,4H2,1-3H3;1H/q+1;/p-1