methyl 2-[3-(4-chlorophenyl)sulfanylpropanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[3-(4-chlorophenyl)sulfanylpropanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[3-(4-chlorophenyl)sulfanylpropanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[3-[(4-chlorophenyl)thio]-1-oxopropyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-chlorophenyl)sulfanylpropanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[3-[(4-chlorophenyl)thio]propanoylimino]-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H21ClN2O3S3 MolecularWeight: 481.05104

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=C(C=C3)Cl)S2)CCSC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=C(C=C3)Cl)S2)CCSC

InChI

InChI=1S/C21H21ClN2O3S3/c1-27-20(26)14-3-8-17-18(13-14)30-21(24(17)10-12-28-2)23-19(25)9-11-29-16-6-4-15(22)5-7-16/h3-8,13H,9-12H2,1-2H3