methyl 2-[4-(4-methylphenyl)sulfanylbutanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[4-(4-methylphenyl)sulfanylbutanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methylsulfanylethyl)-2-[4-(p-tolylsulfanyl)butanoylimino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[4-[(4-methylphenyl)thio]-1-oxobutyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-methylphenyl)sulfanylbutanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-[4-(p-tolylthio)butanoylimino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C23H26N2O3S3 MolecularWeight: 474.65914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CCSC

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CCSC

InChI

InChI=1S/C23H26N2O3S3/c1-16-6-9-18(10-7-16)30-13-4-5-21(26)24-23-25(12-14-29-3)19-11-8-17(22(27)28-2)15-20(19)31-23/h6-11,15H,4-5,12-14H2,1-3H3