ethyl 2-[(6-ethoxycarbonyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[(6-ethoxycarbonyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(6-ethoxycarbonyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-methyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(6-ethoxycarbonyl-4H-1,3-benzodioxin-8-yl)methylthio]-5-methyl-4-oxo-3-phenethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-ethoxycarbonyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-methyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(6-carbethoxy-4H-1,3-benzodioxin-8-yl)methylthio]-4-keto-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C30H30N2O7S2 MolecularWeight: 594.6984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=C(C(=C(S4)C(=O)OCC)C)C(=O)N3CCC5=CC=CC=C5)OCOC2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=C(C(=C(S4)C(=O)OCC)C)C(=O)N3CCC5=CC=CC=C5)OCOC2

InChI

InChI=1S/C30H30N2O7S2/c1-4-37-28(34)20-13-21-15-36-17-39-24(21)22(14-20)16-40-30-31-26-23(18(3)25(41-26)29(35)38-5-2)27(33)32(30)12-11-19-9-7-6-8-10-19/h6-10,13-14H,4-5,11-12,15-17H2,1-3H3