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

Systemtic Name: methyl (6R)-4-methyl-6-(3-nitrophenyl)-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-4-methyl-6-(3-nitrophenyl)-3-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-4-methyl-6-(3-nitrophenyl)-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-4-methyl-6-(3-nitrophenyl)-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-4-methyl-6-(3-nitrophenyl)-3-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4S/c1-4-8-18-10(2)13(15(20)23-3)14(17-16(18)24)11-6-5-7-12(9-11)19(21)22/h5-7,9,14H,4,8H2,1-3H3,(H,17,24)/t14-/m1/s1