4-[(5-methyl-4-oxidanylidene-6-phenylmethoxycarbonyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate

Systemtic Name: 4-[(5-methyl-4-oxidanylidene-6-phenylmethoxycarbonyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Openeye Name: 4-[(6-benzyloxycarbonyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate CAS Name: 4-[(5-methyl-4-oxo-6-phenylmethoxycarbonyl-3-thieno[2,3-d]pyrimidinyl)methyl]benzoate IUPAC Name: 4-[(5-methyl-4-oxo-6-phenylmethoxycarbonylthieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Traditional Name: 4-[(6-carbobenzoxy-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Formula: C23H17N2O5S- MolecularWeight: 433.45648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=C(C=C3)C(=O)[O-])C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=C(C=C3)C(=O)[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H18N2O5S/c1-14-18-20(31-19(14)23(29)30-12-16-5-3-2-4-6-16)24-13-25(21(18)26)11-15-7-9-17(10-8-15)22(27)28/h2-10,13H,11-12H2,1H3,(H,27,28)/p-1