methyl 4-(5-chloranyl-3-oxidanylidene-1,2-thiazol-2-yl)butanoate

Systemtic Name: methyl 4-(5-chloranyl-3-oxidanylidene-1,2-thiazol-2-yl)butanoate Openeye Name: methyl 4-(5-chloro-3-oxo-isothiazol-2-yl)butanoate CAS Name: 4-(5-chloro-3-oxo-2-isothiazolyl)butanoic acid methyl ester IUPAC Name: methyl 4-(5-chloro-3-oxo-1,2-thiazol-2-yl)butanoate Traditional Name: 4-(5-chloro-3-keto-4-isothiazolin-2-yl)butyric acid methyl ester Formula: C8H10ClNO3S MolecularWeight: 235.6879

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C(=O)C=C(S1)Cl

Isomeric SMILES

COC(=O)CCCN1C(=O)C=C(S1)Cl

InChI

InChI=1S/C8H10ClNO3S/c1-13-8(12)3-2-4-10-7(11)5-6(9)14-10/h5H,2-4H2,1H3