[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-2-oxo-ethyl] (E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenoic acid [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)C=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)/C=C/C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C28H25N3O3S/c1-20(28(33)30-17-7-10-21-9-5-6-13-24(21)30)34-26(32)16-15-22-19-31(23-11-3-2-4-12-23)29-27(22)25-14-8-18-35-25/h2-6,8-9,11-16,18-20H,7,10,17H2,1H3/b16-15+