[1-(3-cyanophenyl)-2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 2-pyrimidin-2-ylsulfanylethanoate

Systemtic Name: [1-(3-cyanophenyl)-2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 2-pyrimidin-2-ylsulfanylethanoate Openeye Name: [1-(3-cyanophenyl)-2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 2-pyrimidin-2-ylsulfanylacetate CAS Name: 2-(2-pyrimidinylthio)acetic acid [1-(3-cyanophenyl)-2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] ester IUPAC Name: [1-(3-cyanophenyl)-2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 2-pyrimidin-2-ylsulfanylacetate Traditional Name: 2-(2-pyrimidylthio)acetic acid [1-(3-cyanophenyl)-2-keto-2-[(3,4,5-trimethoxybenzyl)amino]ethyl] ester Formula: C25H24N4O6S MolecularWeight: 508.54626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C(C2=CC=CC(=C2)C#N)OC(=O)CSC3=NC=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C(C2=CC=CC(=C2)C#N)OC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C25H24N4O6S/c1-32-19-11-17(12-20(33-2)23(19)34-3)14-29-24(31)22(18-7-4-6-16(10-18)13-26)35-21(30)15-36-25-27-8-5-9-28-25/h4-12,22H,14-15H2,1-3H3,(H,29,31)