5-chloranyl-2-[3-(2,5-dimethoxyphenyl)-3-oxidanylidene-propyl]-1,2-thiazol-3-one

Systemtic Name: 5-chloranyl-2-[3-(2,5-dimethoxyphenyl)-3-oxidanylidene-propyl]-1,2-thiazol-3-one Openeye Name: 5-chloro-2-[3-(2,5-dimethoxyphenyl)-3-oxo-propyl]isothiazol-3-one CAS Name: 5-chloro-2-[3-(2,5-dimethoxyphenyl)-3-oxopropyl]-3-isothiazolone IUPAC Name: 5-chloro-2-[3-(2,5-dimethoxyphenyl)-3-oxopropyl]-1,2-thiazol-3-one Traditional Name: 5-chloro-2-[3-(2,5-dimethoxyphenyl)-3-keto-propyl]-4-isothiazolin-3-one Formula: C14H14ClNO4S MolecularWeight: 327.78326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)CCN2C(=O)C=C(S2)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)CCN2C(=O)C=C(S2)Cl

InChI

InChI=1S/C14H14ClNO4S/c1-19-9-3-4-12(20-2)10(7-9)11(17)5-6-16-14(18)8-13(15)21-16/h3-4,7-8H,5-6H2,1-2H3