methyl 2-[6-chloranyl-2-(1,2-oxazol-5-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-chloranyl-2-(1,2-oxazol-5-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-chloro-2-(isoxazole-5-carbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-chloro-2-[5-isoxazolyl(oxo)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-chloro-2-(1,2-oxazole-5-carbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-chloro-2-(isoxazole-5-carbonylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C14H10ClN3O4S MolecularWeight: 351.7649

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)C3=CC=NO3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)C3=CC=NO3

InChI

InChI=1S/C14H10ClN3O4S/c1-21-12(19)7-18-9-3-2-8(15)6-11(9)23-14(18)17-13(20)10-4-5-16-22-10/h2-6H,7H2,1H3