2-methoxyethyl (6R)-4-methyl-6-(4-nitrophenyl)-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl (6R)-4-methyl-6-(4-nitrophenyl)-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6R)-4-methyl-6-(4-nitrophenyl)-3-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-4-methyl-6-(4-nitrophenyl)-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6R)-4-methyl-6-(4-nitrophenyl)-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-4-methyl-6-(4-nitrophenyl)-3-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(NC1=S)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCOC)C

Isomeric SMILES

CCCN1C(=C([C@H](NC1=S)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCOC)C

InChI

InChI=1S/C18H23N3O5S/c1-4-9-20-12(2)15(17(22)26-11-10-25-3)16(19-18(20)27)13-5-7-14(8-6-13)21(23)24/h5-8,16H,4,9-11H2,1-3H3,(H,19,27)/t16-/m1/s1