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

Systemtic Name: ethyl 6-methyl-4-(3-nitrophenyl)-3-propyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-(3-nitrophenyl)-3-propyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-methyl-4-(3-nitrophenyl)-3-propyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-(3-nitrophenyl)-3-propyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 6-methyl-4-(3-nitrophenyl)-3-propyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-4-9-19-15(12-7-6-8-13(10-12)20(22)23)14(16(21)24-5-2)11(3)18-17(19)25/h6-8,10,15H,4-5,9H2,1-3H3,(H,18,25)