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

Systemtic Name: 3-[5-(3,4-dimethylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: 3-[5-(3,4-dimethylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 3-[5-(3,4-dimethylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoate IUPAC Name: 3-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 3-[5-(3,4-dimethylphenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]propionate Formula: C17H15N2O3S- MolecularWeight: 327.3776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC(=O)[O-])C

InChI

InChI=1S/C17H16N2O3S/c1-10-3-4-12(7-11(10)2)13-8-23-16-15(13)17(22)19(9-18-16)6-5-14(20)21/h3-4,7-9H,5-6H2,1-2H3,(H,20,21)/p-1