2-[(6-methyl-4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(6-methyl-4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: 2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]acetate IUPAC Name: 2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(4-keto-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]acetate Formula: C15H11N2O3S2- MolecularWeight: 331.38944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)SCC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)SCC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C15H12N2O3S2/c1-8-11(9-5-3-2-4-6-9)12-13(20)16-15(17-14(12)22-8)21-7-10(18)19/h2-6H,7H2,1H3,(H,18,19)(H,16,17,20)/p-1