[4-(phenylcarbamoyl)phenyl]methyl 2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: [4-(phenylcarbamoyl)phenyl]methyl 2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: [4-(phenylcarbamoyl)phenyl]methyl 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]acetic acid [4-[anilino(oxo)methyl]phenyl]methyl ester IUPAC Name: [4-(phenylcarbamoyl)phenyl]methyl 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]acetic acid [4-(phenylcarbamoyl)benzyl] ester Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC(=O)OCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC(=O)OCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C25H23N3O3S/c1-16-17(2)22(13-26)25(27-18(16)3)32-15-23(29)31-14-19-9-11-20(12-10-19)24(30)28-21-7-5-4-6-8-21/h4-12H,14-15H2,1-3H3,(H,28,30)