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

Systemtic Name: [4-(5-ethanoyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-methoxy-3-nitro-phenyl] ethanoate Openeye Name: [4-(5-acetyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)-2-methoxy-3-nitro-phenyl] acetate CAS Name: acetic acid [4-(5-acetyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-methoxy-3-nitrophenyl] ester IUPAC Name: [4-(5-acetyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-methoxy-3-nitrophenyl] acetate Traditional Name: acetic acid [4-(5-acetyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)-2-methoxy-3-nitro-phenyl] ester Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=C(C(=C(C=C2)OC(=O)C)OC)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=C(C(=C(C=C2)OC(=O)C)OC)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C16H17N3O6S/c1-7-12(8(2)20)13(18-16(26)17-7)10-5-6-11(25-9(3)21)15(24-4)14(10)19(22)23/h5-6,13H,1-4H3,(H2,17,18,26)