methyl 2-[(4S)-6-(4-methylphenyl)-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxidanylidene-ethanoate

Systemtic Name: methyl 2-[(4S)-6-(4-methylphenyl)-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[(4S)-4-(3-nitrophenyl)-6-(p-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxo-acetate CAS Name: 2-[(4S)-6-(4-methylphenyl)-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-[(4S)-6-(4-methylphenyl)-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate Traditional Name: 2-keto-2-[(4S)-4-(3-nitrophenyl)-6-(p-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid methyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(NC(=S)N2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C([C@@H](NC(=S)N2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C(=O)OC

InChI

InChI=1S/C20H17N3O5S/c1-11-6-8-12(9-7-11)16-15(18(24)19(25)28-2)17(22-20(29)21-16)13-4-3-5-14(10-13)23(26)27/h3-10,17H,1-2H3,(H2,21,22,29)/t17-/m0/s1