[4-[(3-methylphenyl)carbonylamino]phenyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [4-[(3-methylphenyl)carbonylamino]phenyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [4-[(3-methylbenzoyl)amino]phenyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [4-[[(3-methylphenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(3-methylbenzoyl)amino]phenyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [4-(m-toluoylamino)phenyl] ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)OC(=O)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)OC(=O)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C22H21N3O3S/c1-14-5-4-6-17(11-14)21(27)25-18-7-9-19(10-8-18)28-20(26)13-29-22-23-15(2)12-16(3)24-22/h4-12H,13H2,1-3H3,(H,25,27)