[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-keto-2-(4-piperidinoanilino)ethyl] ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3)C

InChI

InChI=1S/C21H26N4O3S/c1-15-12-16(2)23-21(22-15)29-14-20(27)28-13-19(26)24-17-6-8-18(9-7-17)25-10-4-3-5-11-25/h6-9,12H,3-5,10-11,13-14H2,1-2H3,(H,24,26)