ethyl 6-[(7-methoxy-4,5-dihydrobenzo[g][1]benzothiol-2-yl)carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(7-methoxy-4,5-dihydrobenzo[g][1]benzothiol-2-yl)carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(7-methoxy-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carbonyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[(7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6S/c1-3-29-20(25)16-10-23-22(27)24-17(16)11-30-21(26)18-9-13-5-4-12-8-14(28-2)6-7-15(12)19(13)31-18/h6-9H,3-5,10-11H2,1-2H3,(H2,23,24,27)