methyl 5-[6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]pentanoate

Systemtic Name: methyl 5-[6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]pentanoate Openeye Name: methyl 5-[6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-2,4-dioxo-1H-pyrimidin-3-yl]pentanoate CAS Name: 5-[6-[(3,5-dimethylphenyl)thio]-5-ethyl-2,4-dioxo-1H-pyrimidin-3-yl]pentanoic acid methyl ester IUPAC Name: methyl 5-[6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-2,4-dioxo-1H-pyrimidin-3-yl]pentanoate Traditional Name: 5-[6-[(3,5-dimethylphenyl)thio]-5-ethyl-2,4-diketo-1H-pyrimidin-3-yl]valeric acid methyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=O)N(C1=O)CCCCC(=O)OC)SC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCC1=C(NC(=O)N(C1=O)CCCCC(=O)OC)SC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C20H26N2O4S/c1-5-16-18(27-15-11-13(2)10-14(3)12-15)21-20(25)22(19(16)24)9-7-6-8-17(23)26-4/h10-12H,5-9H2,1-4H3,(H,21,25)