ethyl 2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[4-[(4-fluorophenyl)thio]-1-oxobutyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-[(4-fluorophenyl)thio]butanoylimino]-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H25FN2O3S3 MolecularWeight: 492.649603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN2O3S3/c1-3-29-22(28)16-6-11-19-20(15-16)32-23(26(19)12-14-30-2)25-21(27)5-4-13-31-18-9-7-17(24)8-10-18/h6-11,15H,3-5,12-14H2,1-2H3