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

Systemtic Name: methyl 3-(2-methylsulfanylethyl)-2-(3-phenoxypropanoylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methylsulfanylethyl)-2-(3-phenoxypropanoylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-(1-oxo-3-phenoxypropyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylsulfanylethyl)-2-(3-phenoxypropanoylimino)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-(3-phenoxypropanoylimino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCOC3=CC=CC=C3)S2)CCSC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCOC3=CC=CC=C3)S2)CCSC

InChI

InChI=1S/C21H22N2O4S2/c1-26-20(25)15-8-9-17-18(14-15)29-21(23(17)11-13-28-2)22-19(24)10-12-27-16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3