(2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: (2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: (2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl 4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid [2-(methylthio)-4-oxo-1H-pyrimidin-6-yl]methyl ester IUPAC Name: (2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid [4-keto-2-(methylthio)-1H-pyrimidin-6-yl]methyl ester Formula: C19H16N2O3S2 MolecularWeight: 384.47194

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C=C(N1)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

Isomeric SMILES

CSC1=NC(=O)C=C(N1)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

InChI

InChI=1S/C19H16N2O3S2/c1-25-19-20-13(9-16(22)21-19)10-24-18(23)15-8-12-7-6-11-4-2-3-5-14(11)17(12)26-15/h2-5,8-9H,6-7,10H2,1H3,(H,20,21,22)