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

Systemtic Name: methyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methoxy-2-oxo-ethyl)-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxy-2-oxoethyl)-2-[1-oxo-4-(phenylthio)butyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methoxy-2-oxoethyl)-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-keto-2-methoxy-ethyl)-2-[4-(phenylthio)butanoylimino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5S2/c1-28-20(26)14-24-17-11-10-15(21(27)29-2)13-18(17)31-22(24)23-19(25)9-6-12-30-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3