2-[[4,5-bis(chloranyl)-3-oxidanylidene-1,2-thiazol-2-yl]methyl]prop-2-enoic acid

Systemtic Name: 2-[[4,5-bis(chloranyl)-3-oxidanylidene-1,2-thiazol-2-yl]methyl]prop-2-enoic acid Openeye Name: 2-[(4,5-dichloro-3-oxo-isothiazol-2-yl)methyl]prop-2-enoic acid CAS Name: 2-[(4,5-dichloro-3-oxo-2-isothiazolyl)methyl]-2-propenoic acid IUPAC Name: 2-[(4,5-dichloro-3-oxo-1,2-thiazol-2-yl)methyl]prop-2-enoic acid Traditional Name: 2-[(4,5-dichloro-3-keto-4-isothiazolin-2-yl)methyl]acrylic acid Formula: C7H5Cl2NO3S MolecularWeight: 254.0905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(CN1C(=O)C(=C(S1)Cl)Cl)C(=O)O

Isomeric SMILES

C=C(CN1C(=O)C(=C(S1)Cl)Cl)C(=O)O

InChI

InChI=1S/C7H5Cl2NO3S/c1-3(7(12)13)2-10-6(11)4(8)5(9)14-10/h1-2H2,(H,12,13)