1-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine

Systemtic Name: 1-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine Openeye Name: 1-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-N-[[5-(2-thienyl)-1H-pyrazol-4-yl]methyl]methanamine CAS Name: 1-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine IUPAC Name: 1-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine Traditional Name: [(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl-[[5-(2-thienyl)-1H-pyrazol-4-yl]methyl]amine Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNCC3=C(NN=C3)C4=CC=CS4

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNCC3=C(NN=C3)C4=CC=CS4

InChI

InChI=1S/C20H23N3O2S/c1-3-24-17-8-14-7-13(2)25-18(14)9-15(17)10-21-11-16-12-22-23-20(16)19-5-4-6-26-19/h4-6,8-9,12-13,21H,3,7,10-11H2,1-2H3,(H,22,23)/t13-/m0/s1