ethyl 2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2,3-dihydro-p-dioxin-5-carbonylimino)-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=COCCO3)S2)CCSC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=COCCO3)S2)CCSC

InChI

InChI=1S/C18H20N2O5S2/c1-3-24-17(22)12-4-5-13-15(10-12)27-18(20(13)6-9-26-2)19-16(21)14-11-23-7-8-25-14/h4-5,10-11H,3,6-9H2,1-2H3