ethyl 8-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: ethyl 8-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: ethyl 8-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC(=NC4=C3CCC4)C)OCOC2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC(=NC4=C3CCC4)C)OCOC2

InChI

InChI=1S/C20H22N2O4S/c1-3-25-20(23)13-7-14-9-24-11-26-18(14)15(8-13)10-27-19-16-5-4-6-17(16)21-12(2)22-19/h7-8H,3-6,9-11H2,1-2H3