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

Systemtic Name: 2-(3-nitrophenyl)ethyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(3-nitrophenyl)ethyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-nitrophenyl)ethyl ester IUPAC Name: 2-(3-nitrophenyl)ethyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-nitrophenyl)ethyl ester Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O4S/c1-9-12(8-15-14(22)16-9)13(18)21-6-5-10-3-2-4-11(7-10)17(19)20/h2-4,7H,5-6,8H2,1H3,(H2,15,16,22)