ethyl 1-[(4-methoxycarbonylphenyl)methyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[(4-methoxycarbonylphenyl)methyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[(4-methoxycarbonylphenyl)methyl]-2-methylsulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[(4-methoxycarbonylphenyl)methyl]-2-(methylthio)-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-methoxycarbonylphenyl)methyl]-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 1-(4-carbomethoxybenzyl)-6-keto-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=C(C=C2)C(=O)OC)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=C(C=C2)C(=O)OC)SC

InChI

InChI=1S/C17H18N2O5S/c1-4-24-16(22)13-9-18-17(25-3)19(14(13)20)10-11-5-7-12(8-6-11)15(21)23-2/h5-9H,4,10H2,1-3H3