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

Systemtic Name: ethyl 2-(2-azanylethylsulfanylmethyl)-6-methyl-5-nitro-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 2-(2-aminoethylsulfanylmethyl)-6-methyl-5-nitro-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate CAS Name: 2-[(2-aminoethylthio)methyl]-6-methyl-5-nitro-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-aminoethylsulfanylmethyl)-6-methyl-5-nitro-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 2-[(2-aminoethylthio)methyl]-6-methyl-5-nitro-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C19H22F3N3O4S MolecularWeight: 445.45589

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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)CSCCN

Isomeric SMILES

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

InChI

InChI=1S/C19H22F3N3O4S/c1-3-29-18(26)16-14(10-30-8-7-23)24-11(2)17(25(27)28)15(16)12-5-4-6-13(9-12)19(20,21)22/h4-6,9,15,24H,3,7-8,10,23H2,1-2H3