2-[[7,7-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[7,7-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[7,7-dimethyl-2-(m-tolyl)-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl]sulfanyl]acetic acid CAS Name: 2-[[7,7-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl]thio]acetic acid IUPAC Name: 2-[[7,7-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl]sulfanyl]acetic acid Traditional Name: 2-[[7,7-dimethyl-2-(m-tolyl)-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl]thio]acetic acid Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(COC(C3)(C)C)C(=N2)SCC(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(COC(C3)(C)C)C(=N2)SCC(=O)O

InChI

InChI=1S/C18H20N2O3S/c1-11-5-4-6-12(7-11)16-19-14-8-18(2,3)23-9-13(14)17(20-16)24-10-15(21)22/h4-7H,8-10H2,1-3H3,(H,21,22)