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

Systemtic Name: 2-methoxyethyl (6R)-3-cyclopropyl-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6R)-3-cyclopropyl-4-methyl-6-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-cyclopropyl-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6R)-3-cyclopropyl-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-cyclopropyl-4-methyl-6-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2CC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCOC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1C2CC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCOC

InChI

InChI=1S/C18H21N3O5S/c1-11-15(17(22)26-9-8-25-2)16(19-18(27)20(11)13-6-7-13)12-4-3-5-14(10-12)21(23)24/h3-5,10,13,16H,6-9H2,1-2H3,(H,19,27)/t16-/m1/s1