methyl 3-methyl-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-methyl-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-methyl-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[1-oxo-4-(phenylthio)butyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-methyl-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-methyl-2-[4-(phenylthio)butanoylimino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3S2/c1-22-16-11-10-14(19(24)25-2)13-17(16)27-20(22)21-18(23)9-6-12-26-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3