3-[2-(2-chlorophenyl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate

Systemtic Name: 3-[2-(2-chlorophenyl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: 3-[2-(2-chlorophenyl)-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 3-[2-(2-chlorophenyl)-5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoate IUPAC Name: 3-[2-(2-chlorophenyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 3-[2-(2-chlorophenyl)-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl]propionate Formula: C17H14ClN2O3S- MolecularWeight: 361.82266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)C3=CC=CC=C3Cl)CCC(=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)C3=CC=CC=C3Cl)CCC(=O)[O-])C

InChI

InChI=1S/C17H15ClN2O3S/c1-9-10(2)24-16-14(9)17(23)20(8-7-13(21)22)15(19-16)11-5-3-4-6-12(11)18/h3-6H,7-8H2,1-2H3,(H,21,22)/p-1