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

Systemtic Name: 2-[6-aminocarbonyl-2-(2-chlorophenyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: 2-[6-carbamoyl-2-(2-chlorophenyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[6-carbamoyl-2-(2-chlorophenyl)-5-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetate IUPAC Name: 2-[6-carbamoyl-2-(2-chlorophenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[6-carbamoyl-2-(2-chlorophenyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl]acetate Formula: C16H11ClN3O4S- MolecularWeight: 376.79424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O4S/c1-7-11-15(25-12(7)13(18)23)19-14(8-4-2-3-5-9(8)17)20(16(11)24)6-10(21)22/h2-5H,6H2,1H3,(H2,18,23)(H,21,22)/p-1