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

Systemtic Name: (3E)-3-[6-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-ylidene]-6-methyl-chromene-2,4-dione Openeye Name: (3E)-3-[6-(4-methoxyphenyl)-2-thioxo-1H-pyrimidin-4-ylidene]-6-methyl-chromane-2,4-dione CAS Name: (3E)-3-[6-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-ylidene]-6-methyl-3,4-dihydro-2H-1-benzopyran-2,4-dione IUPAC Name: (3E)-3-[6-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-ylidene]-6-methylchromene-2,4-dione Traditional Name: (3E)-3-[6-(4-methoxyphenyl)-2-thioxo-1H-pyrimidin-4-ylidene]-6-methyl-chroman-2,4-quinone Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=O)C(=C3C=C(NC(=S)N3)C4=CC=C(C=C4)OC)C2=O

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=O)/C(=C/3\C=C(NC(=S)N3)C4=CC=C(C=C4)OC)/C2=O

InChI

InChI=1S/C21H16N2O4S/c1-11-3-8-17-14(9-11)19(24)18(20(25)27-17)16-10-15(22-21(28)23-16)12-4-6-13(26-2)7-5-12/h3-10H,1-2H3,(H2,22,23,28)/b18-16+