[(E)-(6-methyl-2,3-dihydrothiochromen-4-ylidene)amino] 3-(trifluoromethyl)benzoate

Systemtic Name: [(E)-(6-methyl-2,3-dihydrothiochromen-4-ylidene)amino] 3-(trifluoromethyl)benzoate Openeye Name: [(E)-(6-methylthiochroman-4-ylidene)amino] 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [(E)-(6-methyl-2,3-dihydro-1-benzothiopyran-4-ylidene)amino] ester IUPAC Name: [(E)-(6-methyl-2,3-dihydrothiochromen-4-ylidene)amino] 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [(E)-(6-methylthiochroman-4-ylidene)amino] ester Formula: C18H14F3NO2S MolecularWeight: 365.36947

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SCCC2=NOC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=CC\2=C(C=C1)SCC/C2=N\OC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H14F3NO2S/c1-11-5-6-16-14(9-11)15(7-8-25-16)22-24-17(23)12-3-2-4-13(10-12)18(19,20)21/h2-6,9-10H,7-8H2,1H3/b22-15+