[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(diisobutylamino)-2-oxo-ethyl] 3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoate CAS Name: 3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenoic acid [2-[bis(2-methylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate Traditional Name: 3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylic acid [2-(diisobutylamino)-2-keto-ethyl] ester Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)COC(=O)C=CC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CN(CC(C)C)C(=O)COC(=O)C=CC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C26H31N3O3S/c1-19(2)15-28(16-20(3)4)24(30)18-32-25(31)13-12-21-17-29(22-9-6-5-7-10-22)27-26(21)23-11-8-14-33-23/h5-14,17,19-20H,15-16,18H2,1-4H3