ethyl 1-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-(4-ethylanilino)-2-oxo-ethyl]-2-methylsulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-(4-ethylanilino)-2-oxoethyl]-2-(methylthio)-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-ethylanilino)-2-oxoethyl]-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 1-[2-(4-ethylanilino)-2-keto-ethyl]-6-keto-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CN=C2SC)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CN=C2SC)C(=O)OCC

InChI

InChI=1S/C18H21N3O4S/c1-4-12-6-8-13(9-7-12)20-15(22)11-21-16(23)14(17(24)25-5-2)10-19-18(21)26-3/h6-10H,4-5,11H2,1-3H3,(H,20,22)