3-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanylmethyl]-4-methoxy-benzoate

Systemtic Name: 3-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanylmethyl]-4-methoxy-benzoate Openeye Name: 3-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanylmethyl]-4-methoxy-benzoate CAS Name: 3-[[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)thio]methyl]-4-methoxybenzoate IUPAC Name: 3-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanylmethyl]-4-methoxybenzoate Traditional Name: 3-[[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)thio]methyl]-4-methoxy-benzoate Formula: C24H23N2O4S- MolecularWeight: 435.51542

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)C(=NC(=N2)C3=CC=CC=C3)SCC4=C(C=CC(=C4)C(=O)[O-])OC)C

Isomeric SMILES

CC1(CC2=C(CO1)C(=NC(=N2)C3=CC=CC=C3)SCC4=C(C=CC(=C4)C(=O)[O-])OC)C

InChI

InChI=1S/C24H24N2O4S/c1-24(2)12-19-18(13-30-24)22(26-21(25-19)15-7-5-4-6-8-15)31-14-17-11-16(23(27)28)9-10-20(17)29-3/h4-11H,12-14H2,1-3H3,(H,27,28)/p-1