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

Systemtic Name: methyl 2-[4-(4-methoxyphenyl)sulfanylbutanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-(4-methoxyphenyl)sulfanylbutanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[4-[(4-methoxyphenyl)thio]-1-oxobutyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-methoxyphenyl)sulfanylbutanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-[(4-methoxyphenyl)thio]butanoylimino]-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C23H26N2O4S3 MolecularWeight: 490.65854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CCSC

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CCSC

InChI

InChI=1S/C23H26N2O4S3/c1-28-17-7-9-18(10-8-17)31-13-4-5-21(26)24-23-25(12-14-30-3)19-11-6-16(22(27)29-2)15-20(19)32-23/h6-11,15H,4-5,12-14H2,1-3H3