methyl 3-(2-methylsulfanylethyl)-2-(phenylcarbonylimino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methylsulfanylethyl)-2-(phenylcarbonylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-benzoylimino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-benzoylimino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-benzoylimino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-benzoylimino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3)S2)CCSC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3)S2)CCSC

InChI

InChI=1S/C19H18N2O3S2/c1-24-18(23)14-8-9-15-16(12-14)26-19(21(15)10-11-25-2)20-17(22)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3