methyl 3-methyl-2-[3-(trifluoromethyl)phenyl]carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-methyl-2-[3-(trifluoromethyl)phenyl]carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-methyl-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[oxo-[3-(trifluoromethyl)phenyl]methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-methyl-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-methyl-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H13F3N2O3S MolecularWeight: 394.36763

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H13F3N2O3S/c1-23-13-7-6-11(16(25)26-2)9-14(13)27-17(23)22-15(24)10-4-3-5-12(8-10)18(19,20)21/h3-9H,1-2H3