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

Systemtic Name: 3-[[5-(3,4-dimethylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate Openeye Name: 3-[[5-(3,4-dimethylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate CAS Name: 3-[[5-(3,4-dimethylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propanoate IUPAC Name: 3-[[5-(3,4-dimethylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(3,4-dimethylphenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propionate Formula: C17H15N2O3S2- MolecularWeight: 359.4426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCCC(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCCC(=O)[O-])C

InChI

InChI=1S/C17H16N2O3S2/c1-9-3-4-11(7-10(9)2)12-8-24-16-14(12)15(22)18-17(19-16)23-6-5-13(20)21/h3-4,7-8H,5-6H2,1-2H3,(H,20,21)(H,18,19,22)/p-1