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

Systemtic Name: 2-[[5-(2,4-dimethylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(2,4-dimethylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(2,4-dimethylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]acetate IUPAC Name: 2-[[5-(2,4-dimethylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2,4-dimethylphenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]thio]acetate Formula: C16H13N2O3S2- MolecularWeight: 345.41602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O3S2/c1-8-3-4-10(9(2)5-8)11-6-22-15-13(11)14(21)17-16(18-15)23-7-12(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,17,18,21)/p-1