methyl 2-[4-(1,3-benzothiazol-2-ylsulfanyl)-5-chloranyl-6-oxidanylidene-pyridazin-1-yl]ethanoate

Systemtic Name: methyl 2-[4-(1,3-benzothiazol-2-ylsulfanyl)-5-chloranyl-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: methyl 2-[4-(1,3-benzothiazol-2-ylsulfanyl)-5-chloro-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[4-(1,3-benzothiazol-2-ylthio)-5-chloro-6-oxo-1-pyridazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(1,3-benzothiazol-2-ylsulfanyl)-5-chloro-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[4-(1,3-benzothiazol-2-ylthio)-5-chloro-6-keto-pyridazin-1-yl]acetic acid methyl ester Formula: C14H10ClN3O3S2 MolecularWeight: 367.8305

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C(=C(C=N1)SC2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

COC(=O)CN1C(=O)C(=C(C=N1)SC2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C14H10ClN3O3S2/c1-21-11(19)7-18-13(20)12(15)10(6-16-18)23-14-17-8-4-2-3-5-9(8)22-14/h2-6H,7H2,1H3