5-(ethanoylsulfanylmethoxycarbonyl)-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-(ethanoylsulfanylmethoxycarbonyl)-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-(acetylsulfanylmethoxycarbonyl)-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-[(acetylthio)methoxy-oxomethyl]-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-(acetylsulfanylmethoxycarbonyl)-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-[(acetylthio)methoxycarbonyl]-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Formula: C18H16F3NO5S MolecularWeight: 415.38355

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=CN1)C(=O)OCSC(=O)C)C2=CC=CC=C2C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=C(C(C(=CN1)C(=O)OCSC(=O)C)C2=CC=CC=C2C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H16F3NO5S/c1-9-14(16(24)25)15(11-5-3-4-6-13(11)18(19,20)21)12(7-22-9)17(26)27-8-28-10(2)23/h3-7,15,22H,8H2,1-2H3,(H,24,25)