ethyl 2-[3-(4-methylphenyl)sulfanylpropanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3S3/c1-4-28-22(27)17-7-10-19-20(15-17)31-23(25(19)12-14-29-3)24-21(26)11-13-30-18-8-5-16(2)6-9-18/h5-10,15H,4,11-14H2,1-3H3