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

Systemtic Name: 2-[[5-(4-chloranyl-3-methyl-phenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(4-chloro-3-methyl-phenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-chloro-3-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]acetate IUPAC Name: 2-[[5-(4-chloro-3-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-chloro-3-methyl-phenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]thio]acetate Formula: C15H10ClN2O3S2- MolecularWeight: 365.8345

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11ClN2O3S2/c1-7-4-8(2-3-10(7)16)9-5-22-14-12(9)13(21)17-15(18-14)23-6-11(19)20/h2-5H,6H2,1H3,(H,19,20)(H,17,18,21)/p-1