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

Systemtic Name: ethyl 2-[3-(4-chlorophenyl)sulfanylpropanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H23ClN2O3S3 MolecularWeight: 495.07762

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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)Cl)S2)CCSC

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O3S3/c1-3-28-21(27)15-4-9-18-19(14-15)31-22(25(18)11-13-29-2)24-20(26)10-12-30-17-7-5-16(23)6-8-17/h4-9,14H,3,10-13H2,1-2H3