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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)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-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 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-phthalimidoethyl ester Formula: C26H19N3O4S MolecularWeight: 469.51176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=CC(=O)OCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=CC(=O)OCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H19N3O4S/c30-23(33-15-14-28-25(31)20-9-4-5-10-21(20)26(28)32)13-12-18-17-29(19-7-2-1-3-8-19)27-24(18)22-11-6-16-34-22/h1-13,16-17H,14-15H2