ethyl 2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-(dimethylamino)prop-2-enoate

Systemtic Name: ethyl 2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-(dimethylamino)prop-2-enoate Openeye Name: ethyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]-3-(dimethylamino)prop-2-enoate CAS Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-3-(dimethylamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-(dimethylamino)prop-2-enoate Traditional Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]-3-(dimethylamino)acrylic acid ethyl ester Formula: C13H14ClF3N2O2S MolecularWeight: 354.77567

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN(C)C)SC1=C(C=C(C=N1)C(F)(F)F)Cl

Isomeric SMILES

CCOC(=O)C(=CN(C)C)SC1=C(C=C(C=N1)C(F)(F)F)Cl

InChI

InChI=1S/C13H14ClF3N2O2S/c1-4-21-12(20)10(7-19(2)3)22-11-9(14)5-8(6-18-11)13(15,16)17/h5-7H,4H2,1-3H3