ethyl 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-3-benzyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-5-methyl-4-oxo-3-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-benzyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-3-benzyl-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C27H26N2O5S2 MolecularWeight: 522.63574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=CC=C3)SCC4=C(C=CC(=C4)C(=O)C)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=CC=C3)SCC4=C(C=CC(=C4)C(=O)C)OC)C

InChI

InChI=1S/C27H26N2O5S2/c1-5-34-26(32)23-16(2)22-24(36-23)28-27(29(25(22)31)14-18-9-7-6-8-10-18)35-15-20-13-19(17(3)30)11-12-21(20)33-4/h6-13H,5,14-15H2,1-4H3