2-[5-(4-chloranyl-3-methyl-phenyl)-6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name: 2-[5-(4-chloranyl-3-methyl-phenyl)-6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: 2-[5-(4-chloro-3-methyl-phenyl)-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(4-chloro-3-methylphenyl)-6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetate IUPAC Name: 2-[5-(4-chloro-3-methylphenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[5-(4-chloro-3-methyl-phenyl)-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl]acetate Formula: C17H14ClN2O3S- MolecularWeight: 361.82266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=CN(C2=O)CC(=O)[O-])C3=CC(=C(C=C3)Cl)C

Isomeric SMILES

CCC1=C(C2=C(S1)N=CN(C2=O)CC(=O)[O-])C3=CC(=C(C=C3)Cl)C

InChI

InChI=1S/C17H15ClN2O3S/c1-3-12-14(10-4-5-11(18)9(2)6-10)15-16(24-12)19-8-20(17(15)23)7-13(21)22/h4-6,8H,3,7H2,1-2H3,(H,21,22)/p-1