[1-(4-cyanophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-pyrimidin-2-ylsulfanylethanoate

Systemtic Name: [1-(4-cyanophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-pyrimidin-2-ylsulfanylethanoate Openeye Name: [1-(4-cyanophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl] 2-pyrimidin-2-ylsulfanylacetate CAS Name: 2-(2-pyrimidinylthio)acetic acid [1-(4-cyanophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [1-(4-cyanophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-pyrimidin-2-ylsulfanylacetate Traditional Name: 2-(2-pyrimidylthio)acetic acid [1-(4-cyanophenyl)-2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl] ester Formula: C24H22N4O4S MolecularWeight: 462.52088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C(C2=CC=C(C=C2)C#N)OC(=O)CSC3=NC=CC=N3

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)C(C2=CC=C(C=C2)C#N)OC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C24H22N4O4S/c1-31-20-9-5-17(6-10-20)11-14-26-23(30)22(19-7-3-18(15-25)4-8-19)32-21(29)16-33-24-27-12-2-13-28-24/h2-10,12-13,22H,11,14,16H2,1H3,(H,26,30)