1-[(3S)-3-thiophen-2-yl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[(3S)-3-thiophen-2-yl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[(3S)-3-(2-thienyl)-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[(3S)-3-thiophen-2-yl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[(3S)-3-thiophen-2-yl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[(5S)-5-(2-thienyl)-3-(3,4,5-trimethoxyphenyl)-2-pyrazolin-1-yl]ethanone Formula: C18H20N2O4S MolecularWeight: 360.4274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC=CS3

Isomeric SMILES

CC(=O)N1[C@@H](CC(=N1)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC=CS3

InChI

InChI=1S/C18H20N2O4S/c1-11(21)20-14(17-6-5-7-25-17)10-13(19-20)12-8-15(22-2)18(24-4)16(9-12)23-3/h5-9,14H,10H2,1-4H3/t14-/m0/s1