[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C27H21N3O4S MolecularWeight: 483.53834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=CC(=O)OCC(=O)NCC5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=CC(=O)OCC(=O)NCC5=CC=CS5

InChI

InChI=1S/C27H21N3O4S/c31-25(28-16-22-10-6-14-35-22)18-33-26(32)13-12-20-17-30(21-8-2-1-3-9-21)29-27(20)24-15-19-7-4-5-11-23(19)34-24/h1-15,17H,16,18H2,(H,28,31)