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

Systemtic Name: methyl (6R)-3-cyclopentyl-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3-cyclopentyl-4-methyl-6-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-cyclopentyl-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-3-cyclopentyl-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-cyclopentyl-4-methyl-6-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2CCCC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1C2CCCC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H21N3O4S/c1-11-15(17(22)25-2)16(12-6-5-9-14(10-12)21(23)24)19-18(26)20(11)13-7-3-4-8-13/h5-6,9-10,13,16H,3-4,7-8H2,1-2H3,(H,19,26)/t16-/m1/s1