2-methylpropyl (4S)-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl (4S)-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isobutyl (4S)-6-methyl-4-(3-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (4S)-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-methyl-4-(3-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isobutyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC(C)C

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC(C)C

InChI

InChI=1S/C16H19N3O4S/c1-9(2)8-23-15(20)13-10(3)17-16(24)18-14(13)11-5-4-6-12(7-11)19(21)22/h4-7,9,14H,8H2,1-3H3,(H2,17,18,24)/t14-/m0/s1