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

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

Systemtic Name:ethyl 2-(carbamimidoylsulfanylmethyl)-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
Openeye Name:ethyl 2-(carbamimidoylsulfanylmethyl)-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
CAS Name:2-[(carbamimidoylthio)methyl]-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester
IUPAC Name:ethyl 2-(carbamimidoylsulfanylmethyl)-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
Traditional Name:2-[(amidinothio)methyl]-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester
Formula: C19H19F3N4O2S
MolecularWeight: 424.43997
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)C#N)C)CSC(=N)N


Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)C#N)C)CSC(=N)N


InChI

InChI=1S/C19H19F3N4O2S/c1-3-28-17(27)16-14(9-29-18(24)25)26-10(2)12(8-23)15(16)11-6-4-5-7-13(11)19(20,21)22/h4-7,15,26H,3,9H2,1-2H3,(H3,24,25)


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