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

Systemtic Name: 2-[2-(4-chlorophenyl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: 2-[2-(4-chlorophenyl)-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[2-(4-chlorophenyl)-5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetate IUPAC Name: 2-[2-(4-chlorophenyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[2-(4-chlorophenyl)-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl]acetate Formula: C16H12ClN2O3S- MolecularWeight: 347.79608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O3S/c1-8-9(2)23-15-13(8)16(22)19(7-12(20)21)14(18-15)10-3-5-11(17)6-4-10/h3-6H,7H2,1-2H3,(H,20,21)/p-1