ethyl 4-cyano-3-methyl-5-[2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]acetyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[1-oxo-2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]thio]ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]thio]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C20H19F3N4O3S2 MolecularWeight: 484.51507

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC3=C(CCCC3)C(=N2)C(F)(F)F)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC3=C(CCCC3)C(=N2)C(F)(F)F)C#N)C

InChI

InChI=1S/C20H19F3N4O3S2/c1-3-30-18(29)15-10(2)12(8-24)17(32-15)26-14(28)9-31-19-25-13-7-5-4-6-11(13)16(27-19)20(21,22)23/h3-7,9H2,1-2H3,(H,26,28)