methyl 7-[5-aminocarbonyl-3,4-bis(chloranyl)-3H-1,2-thiazol-2-yl]heptanoate

Systemtic Name: methyl 7-[5-aminocarbonyl-3,4-bis(chloranyl)-3H-1,2-thiazol-2-yl]heptanoate Openeye Name: methyl 7-(5-carbamoyl-3,4-dichloro-3H-isothiazol-2-yl)heptanoate CAS Name: 7-(5-carbamoyl-3,4-dichloro-3H-isothiazol-2-yl)heptanoic acid methyl ester IUPAC Name: methyl 7-(5-carbamoyl-3,4-dichloro-3H-1,2-thiazol-2-yl)heptanoate Traditional Name: 7-(5-carbamoyl-3,4-dichloro-4-isothiazolin-2-yl)enanthic acid methyl ester Formula: C12H18Cl2N2O3S MolecularWeight: 341.25392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCN1C(C(=C(S1)C(=O)N)Cl)Cl

Isomeric SMILES

COC(=O)CCCCCCN1C(C(=C(S1)C(=O)N)Cl)Cl

InChI

InChI=1S/C12H18Cl2N2O3S/c1-19-8(17)6-4-2-3-5-7-16-11(14)9(13)10(20-16)12(15)18/h11H,2-7H2,1H3,(H2,15,18)