2-(6-ethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(6-ethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoic acid Openeye Name: 2-(6-ethyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[(6-ethyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetic acid IUPAC Name: 2-(6-ethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-[(6-ethyl-4-keto-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid Formula: C16H14N2O3S2 MolecularWeight: 346.42396

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)O

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)O

InChI

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