methyl 4-[(4S)-5-(2-methoxy-2-oxidanylidene-ethanoyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate

Systemtic Name: methyl 4-[(4S)-5-(2-methoxy-2-oxidanylidene-ethanoyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Openeye Name: methyl 4-[(4S)-5-(2-methoxy-2-oxo-acetyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoate CAS Name: 4-[(4S)-5-(2-methoxy-1,2-dioxoethyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4S)-5-(2-methoxy-2-oxoacetyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Traditional Name: 4-[(4S)-5-methoxalyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[C@H]2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C(=O)OC

InChI

InChI=1S/C21H18N2O5S/c1-27-19(25)14-10-8-13(9-11-14)17-15(18(24)20(26)28-2)16(22-21(29)23-17)12-6-4-3-5-7-12/h3-11,17H,1-2H3,(H2,22,23,29)/t17-/m0/s1