methyl 4-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-3-methyl-benzoate

Systemtic Name: methyl 4-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-3-methyl-benzoate Openeye Name: methyl 4-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-3-methyl-benzoate CAS Name: 4-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-3-methylbenzoate Traditional Name: 4-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]-3-methyl-benzoic acid methyl ester Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CCC2=C(N=C(N=C2C)SC)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CCC2=C(N=C(N=C2C)SC)C

InChI

InChI=1S/C19H23N3O3S/c1-11-10-14(18(24)25-4)6-8-16(11)22-17(23)9-7-15-12(2)20-19(26-5)21-13(15)3/h6,8,10H,7,9H2,1-5H3,(H,22,23)