ethyl 3-(2-methylsulfanylethyl)-2-(oxolan-2-ylcarbonylimino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-methylsulfanylethyl)-2-(oxolan-2-ylcarbonylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-methylsulfanylethyl)-2-(tetrahydrofuran-2-carbonylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-[oxo(2-oxolanyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methylsulfanylethyl)-2-(oxolane-2-carbonylimino)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-(tetrahydrofuran-2-carbonylimino)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3CCCO3)S2)CCSC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3CCCO3)S2)CCSC

InChI

InChI=1S/C18H22N2O4S2/c1-3-23-17(22)12-6-7-13-15(11-12)26-18(20(13)8-10-25-2)19-16(21)14-5-4-9-24-14/h6-7,11,14H,3-5,8-10H2,1-2H3