ethyl 6-[3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-[(4-chloro-3-nitro-benzoyl)amino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(4-chloro-3-nitro-benzoyl)amino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H23ClN4O5S MolecularWeight: 502.97052

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C23H23ClN4O5S/c1-4-27-13(3)19(22(30)33-5-2)20(26-23(27)34)14-7-6-8-16(11-14)25-21(29)15-9-10-17(24)18(12-15)28(31)32/h6-12,20H,4-5H2,1-3H3,(H,25,29)(H,26,34)