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

Systemtic Name: methyl 2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H23FN2O3S3 MolecularWeight: 478.623023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN2O3S3/c1-28-21(27)15-5-10-18-19(14-15)31-22(25(18)11-13-29-2)24-20(26)4-3-12-30-17-8-6-16(23)7-9-17/h5-10,14H,3-4,11-13H2,1-2H3