methyl (4S)-6-methyl-4-(5-nitro-2-propoxy-phenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-6-methyl-4-(5-nitro-2-propoxy-phenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-6-methyl-4-(5-nitro-2-propoxy-phenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-methyl-4-(5-nitro-2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-methyl-4-(5-nitro-2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-methyl-4-(5-nitro-2-propoxy-phenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)[N+](=O)[O-])C2C(=C(NC(=S)N2)C)C(=O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[N+](=O)[O-])[C@H]2C(=C(NC(=S)N2)C)C(=O)OC

InChI

InChI=1S/C16H19N3O5S/c1-4-7-24-12-6-5-10(19(21)22)8-11(12)14-13(15(20)23-3)9(2)17-16(25)18-14/h5-6,8,14H,4,7H2,1-3H3,(H2,17,18,25)/t14-/m0/s1