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

Systemtic Name: 2-[5-(3,4-dimethylphenyl)-2,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: 2-[5-(3,4-dimethylphenyl)-2,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(3,4-dimethylphenyl)-2,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetate IUPAC Name: 2-[5-(3,4-dimethylphenyl)-2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[5-(3,4-dimethylphenyl)-4-keto-2,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl]acetate Formula: C18H17N2O3S- MolecularWeight: 341.40418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(SC3=C2C(=O)N(C(=N3)C)CC(=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(SC3=C2C(=O)N(C(=N3)C)CC(=O)[O-])C)C

InChI

InChI=1S/C18H18N2O3S/c1-9-5-6-13(7-10(9)2)15-11(3)24-17-16(15)18(23)20(8-14(21)22)12(4)19-17/h5-7H,8H2,1-4H3,(H,21,22)/p-1