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

Systemtic Name: methyl 2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[4-[(4-fluorophenyl)thio]-1-oxobutyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-[(4-fluorophenyl)thio]butanoylimino]-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H23FN2O4S2 MolecularWeight: 462.557423

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCCSC3=CC=C(C=C3)F

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN2O4S2/c1-28-12-11-25-18-10-5-15(21(27)29-2)14-19(18)31-22(25)24-20(26)4-3-13-30-17-8-6-16(23)7-9-17/h5-10,14H,3-4,11-13H2,1-2H3