ethyl 3-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[[4-cyclopropyl-5-(4-methyl-1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[[4-cyclopropyl-5-(4-methyl-1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[[4-cyclopropyl-5-(4-methylpiperidino)-1,2,4-triazol-3-yl]thio]methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C23H27FN4O2S2 MolecularWeight: 474.614483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN=C(N3C4CC4)N5CCC(CC5)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN=C(N3C4CC4)N5CCC(CC5)C

InChI

InChI=1S/C23H27FN4O2S2/c1-3-30-21(29)20-16(19-17(24)5-4-6-18(19)32-20)13-31-23-26-25-22(28(23)15-7-8-15)27-11-9-14(2)10-12-27/h4-6,14-15H,3,7-13H2,1-2H3