methyl 2-oxidanylidene-2-[(4R)-6-phenyl-4-(3-prop-2-enoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanoate

Systemtic Name: methyl 2-oxidanylidene-2-[(4R)-6-phenyl-4-(3-prop-2-enoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanoate Openeye Name: methyl 2-[(4R)-4-(3-allyloxyphenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxo-acetate CAS Name: 2-oxo-2-[(4R)-6-phenyl-4-(3-prop-2-enoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-oxo-2-[(4R)-6-phenyl-4-(3-prop-2-enoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]acetate Traditional Name: 2-[(4R)-4-(3-allyloxyphenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-keto-acetic acid methyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)OCC=C)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(=O)C1=C(NC(=S)N[C@@H]1C2=CC(=CC=C2)OCC=C)C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O4S/c1-3-12-28-16-11-7-10-15(13-16)19-17(20(25)21(26)27-2)18(23-22(29)24-19)14-8-5-4-6-9-14/h3-11,13,19H,1,12H2,2H3,(H2,23,24,29)/t19-/m1/s1