2-(4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoic acid Openeye Name: 2-(4-oxo-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[(4-oxo-3,5-diphenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetic acid IUPAC Name: 2-(4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-[(4-keto-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid Formula: C20H14N2O3S2 MolecularWeight: 394.46676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C20H14N2O3S2/c23-16(24)12-27-20-21-18-17(15(11-26-18)13-7-3-1-4-8-13)19(25)22(20)14-9-5-2-6-10-14/h1-11H,12H2,(H,23,24)