ethyl 2-(hydroxymethylsulfanylmethyl)-6-methyl-5-nitro-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 2-(hydroxymethylsulfanylmethyl)-6-methyl-5-nitro-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 2-(hydroxymethylsulfanylmethyl)-6-methyl-5-nitro-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate CAS Name: 2-[(hydroxymethylthio)methyl]-6-methyl-5-nitro-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(hydroxymethylsulfanylmethyl)-6-methyl-5-nitro-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-methyl-2-[(methylolthio)methyl]-5-nitro-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C18H19F3N2O5S MolecularWeight: 432.41407

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)C(F)(F)F)[N+](=O)[O-])C)CSCO

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)C(F)(F)F)[N+](=O)[O-])C)CSCO

InChI

InChI=1S/C18H19F3N2O5S/c1-3-28-17(25)15-13(8-29-9-24)22-10(2)16(23(26)27)14(15)11-5-4-6-12(7-11)18(19,20)21/h4-7,14,22,24H,3,8-9H2,1-2H3