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

Systemtic Name: [1-(4-cyanophenyl)-2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-pyrimidin-2-ylsulfanylethanoate Openeye Name: [1-(4-cyanophenyl)-2-(cyclopropylamino)-2-oxo-ethyl] 2-pyrimidin-2-ylsulfanylacetate CAS Name: 2-(2-pyrimidinylthio)acetic acid [1-(4-cyanophenyl)-2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [1-(4-cyanophenyl)-2-(cyclopropylamino)-2-oxoethyl] 2-pyrimidin-2-ylsulfanylacetate Traditional Name: 2-(2-pyrimidylthio)acetic acid [1-(4-cyanophenyl)-2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=C(C=C2)C#N)OC(=O)CSC3=NC=CC=N3

Isomeric SMILES

C1CC1NC(=O)C(C2=CC=C(C=C2)C#N)OC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C18H16N4O3S/c19-10-12-2-4-13(5-3-12)16(17(24)22-14-6-7-14)25-15(23)11-26-18-20-8-1-9-21-18/h1-5,8-9,14,16H,6-7,11H2,(H,22,24)