3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]benzoic acid IUPAC Name: 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)thio]methyl]benzoic acid Formula: C16H14N2O2S2 MolecularWeight: 330.42456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN=C2SCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCC1=CC2=C(S1)N=CN=C2SCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H14N2O2S2/c1-2-12-7-13-14(17-9-18-15(13)22-12)21-8-10-4-3-5-11(6-10)16(19)20/h3-7,9H,2,8H2,1H3,(H,19,20)