ethyl 3-(2-methylsulfanylethyl)-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-methylsulfanylethyl)-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-methylsulfanylethyl)-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-[1-oxo-4-(phenylthio)butyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methylsulfanylethyl)-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-[4-(phenylthio)butanoylimino]-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)CCCSC3=CC=CC=C3)S2)CCSC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=CC=C3)S2)CCSC

InChI

InChI=1S/C23H26N2O3S3/c1-3-28-22(27)17-11-12-19-20(16-17)31-23(25(19)13-15-29-2)24-21(26)10-7-14-30-18-8-5-4-6-9-18/h4-6,8-9,11-12,16H,3,7,10,13-15H2,1-2H3