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

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

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC(=O)[O-]

InChI

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