methyl 2-[2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylimino)-6-methylsulfanyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylimino)-6-methylsulfanyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]imino-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2,3-dihydro-p-dioxin-5-carbonylimino)-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C16H16N2O5S2 MolecularWeight: 380.43864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)C3=COCCO3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)C3=COCCO3

InChI

InChI=1S/C16H16N2O5S2/c1-21-14(19)8-18-11-4-3-10(24-2)7-13(11)25-16(18)17-15(20)12-9-22-5-6-23-12/h3-4,7,9H,5-6,8H2,1-2H3