ethyl 6-[(4-tert-butylphenyl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(4-tert-butylphenyl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(4-tert-butylphenyl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(4-tert-butylphenyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-tert-butylphenyl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(4-tert-butylphenyl)thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C18H24N2O3S/c1-5-23-16(21)14-10-19-17(22)20-15(14)11-24-13-8-6-12(7-9-13)18(2,3)4/h6-9H,5,10-11H2,1-4H3,(H2,19,20,22)