3-[[4-oxidanylidene-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[4-oxidanylidene-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-(4-isopropylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-oxo-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propanoic acid IUPAC Name: 3-[[4-oxo-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[(4-keto-5-p-cumenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]propionic acid Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S2/c1-10(2)11-3-5-12(6-4-11)13-9-25-17-15(13)16(23)19-18(20-17)24-8-7-14(21)22/h3-6,9-10H,7-8H2,1-2H3,(H,21,22)(H,19,20,23)