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

Systemtic Name: methyl 2-[3-(4-fluorophenyl)sulfonylpropanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[3-(4-fluorophenyl)sulfonylpropanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[3-(4-fluorophenyl)sulfonyl-1-oxopropyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-fluorophenyl)sulfonylpropanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[3-(4-fluorophenyl)sulfonylpropanoylimino]-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H21FN2O5S3 MolecularWeight: 496.595243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O5S3/c1-29-20(26)14-3-8-17-18(13-14)31-21(24(17)10-11-30-2)23-19(25)9-12-32(27,28)16-6-4-15(22)5-7-16/h3-8,13H,9-12H2,1-2H3