2-(6-methyl-4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: 2-(6-methyl-4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoate Openeye Name: 2-(6-methyl-4-oxo-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(6-methyl-4-oxo-3,5-diphenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetate IUPAC Name: 2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-keto-6-methyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetate Formula: C21H15N2O3S2- MolecularWeight: 407.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O3S2/c1-13-17(14-8-4-2-5-9-14)18-19(28-13)22-21(27-12-16(24)25)23(20(18)26)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,24,25)/p-1