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

Systemtic Name: 2-methoxyethyl (6R)-3,4-dimethyl-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6R)-3,4-dimethyl-6-(4-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3,4-dimethyl-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6R)-3,4-dimethyl-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3,4-dimethyl-6-(4-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCOC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCOC

InChI

InChI=1S/C16H19N3O5S/c1-10-13(15(20)24-9-8-23-3)14(17-16(25)18(10)2)11-4-6-12(7-5-11)19(21)22/h4-7,14H,8-9H2,1-3H3,(H,17,25)/t14-/m1/s1