ethyl 6-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonyloxymethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonyloxymethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyloxymethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[4,5-dihydrobenzo[g][1]benzothiol-2-yl(oxo)methoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonyloxymethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyloxymethyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

InChI

InChI=1S/C21H20N2O5S/c1-2-27-19(24)15-10-22-21(26)23-16(15)11-28-20(25)17-9-13-8-7-12-5-3-4-6-14(12)18(13)29-17/h3-6,9H,2,7-8,10-11H2,1H3,(H2,22,23,26)