ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H16N2O4S2 MolecularWeight: 388.46064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN=C2SC3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN=C2SC3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C18H16N2O4S2/c1-3-22-18(21)15-10(2)14-16(19-9-20-17(14)26-15)25-11-4-5-12-13(8-11)24-7-6-23-12/h4-5,8-9H,3,6-7H2,1-2H3