ethyl 6-methyl-4-[2-(3-nitrophenyl)ethenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-[2-(3-nitrophenyl)ethenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-[2-(3-nitrophenyl)vinyl]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-[2-(3-nitrophenyl)ethenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-[2-(3-nitrophenyl)ethenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-[2-(3-nitrophenyl)vinyl]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C=CC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C=CC2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H17N3O4S/c1-3-23-15(20)14-10(2)17-16(24)18-13(14)8-7-11-5-4-6-12(9-11)19(21)22/h4-9,13H,3H2,1-2H3,(H2,17,18,24)