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

Systemtic Name: 2-[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanoic acid Openeye Name: 2-[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid CAS Name: 2-[[5-(4-ethylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]acetic acid IUPAC Name: 2-[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid Traditional Name: 2-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]thio]acetic acid Formula: C16H14N2O2S2 MolecularWeight: 330.42456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)O

InChI

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