(3E)-3-[4-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-ylidene]-7-methyl-chromene-2,4-dione

Systemtic Name: (3E)-3-[4-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-ylidene]-7-methyl-chromene-2,4-dione Openeye Name: (3E)-3-[2-benzylsulfanyl-4-(4-methoxyphenyl)-1H-pyrimidin-6-ylidene]-7-methyl-chromane-2,4-dione CAS Name: (3E)-3-[4-(4-methoxyphenyl)-2-(phenylmethylthio)-1H-pyrimidin-6-ylidene]-7-methyl-3,4-dihydro-2H-1-benzopyran-2,4-dione IUPAC Name: (3E)-3-[2-benzylsulfanyl-4-(4-methoxyphenyl)-1H-pyrimidin-6-ylidene]-7-methylchromene-2,4-dione Traditional Name: (3E)-3-[2-(benzylthio)-4-(4-methoxyphenyl)-1H-pyrimidin-6-ylidene]-7-methyl-chroman-2,4-quinone Formula: C28H22N2O4S MolecularWeight: 482.55028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C(=C3C=C(N=C(N3)SCC4=CC=CC=C4)C5=CC=C(C=C5)OC)C(=O)O2

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)/C(=C\3/C=C(N=C(N3)SCC4=CC=CC=C4)C5=CC=C(C=C5)OC)/C(=O)O2

InChI

InChI=1S/C28H22N2O4S/c1-17-8-13-21-24(14-17)34-27(32)25(26(21)31)23-15-22(19-9-11-20(33-2)12-10-19)29-28(30-23)35-16-18-6-4-3-5-7-18/h3-15H,16H2,1-2H3,(H,29,30)/b25-23+