2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylthio]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylthio]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CSCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CSCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N2O3S/c1-3-27-21-12-18-11-16(2)28-22(18)13-19(21)14-29-15-23(26)25-10-9-20(24-25)17-7-5-4-6-8-17/h4-8,12-13,16H,3,9-11,14-15H2,1-2H3/t16-/m0/s1