[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-2-propenoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]acrylic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C24H18N4O3S2 MolecularWeight: 474.55472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C=CC(=O)OCC(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)/C=C/C(=O)OCC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C24H18N4O3S2/c25-13-18-10-12-33-24(18)26-21(29)16-31-22(30)9-8-19-15-28(14-17-5-2-1-3-6-17)27-23(19)20-7-4-11-32-20/h1-12,15H,14,16H2,(H,26,29)/b9-8+