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

Systemtic Name: 4-[(5-methyl-4-oxidanylidene-6-propan-2-yloxycarbonyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Openeye Name: 4-[(6-isopropoxycarbonyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate CAS Name: 4-[[5-methyl-4-oxo-6-[oxo(propan-2-yloxy)methyl]-3-thieno[2,3-d]pyrimidinyl]methyl]benzoate IUPAC Name: 4-[(5-methyl-4-oxo-6-propan-2-yloxycarbonylthieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Traditional Name: 4-[(6-isopropoxycarbonyl-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Formula: C19H17N2O5S- MolecularWeight: 385.41368

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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)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O5S/c1-10(2)26-19(25)15-11(3)14-16(27-15)20-9-21(17(14)22)8-12-4-6-13(7-5-12)18(23)24/h4-7,9-10H,8H2,1-3H3,(H,23,24)/p-1