methyl 4-[[4-[(Z)-3-methoxy-3-oxidanylidene-2-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)prop-1-enyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(Z)-3-methoxy-3-oxidanylidene-2-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[(Z)-3-methoxy-3-oxo-2-(4-oxo-2-thioxo-1H-pyrimidin-6-yl)prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[(Z)-3-methoxy-3-oxo-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(Z)-3-methoxy-3-oxo-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)prop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(Z)-3-keto-2-(4-keto-2-thioxo-1H-pyrimidin-6-yl)-3-methoxy-prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C(C3=CC(=O)NC(=S)N3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C(/C3=CC(=O)NC(=S)N3)\C(=O)OC

InChI

InChI=1S/C23H20N2O6S/c1-29-21(27)16-7-3-15(4-8-16)13-31-17-9-5-14(6-10-17)11-18(22(28)30-2)19-12-20(26)25-23(32)24-19/h3-12H,13H2,1-2H3,(H2,24,25,26,32)/b18-11-