2-[5-(4-methoxy-3-methyl-phenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoic acid

Systemtic Name: 2-[5-(4-methoxy-3-methyl-phenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoic acid Openeye Name: 2-[5-(4-methoxy-3-methyl-phenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetic acid CAS Name: 2-[5-(4-methoxy-3-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid IUPAC Name: 2-[5-(4-methoxy-3-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid Traditional Name: 2-[4-keto-5-(4-methoxy-3-methyl-phenyl)thieno[2,3-d]pyrimidin-3-yl]acetic acid Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)O)OC

InChI

InChI=1S/C16H14N2O4S/c1-9-5-10(3-4-12(9)22-2)11-7-23-15-14(11)16(21)18(8-17-15)6-13(19)20/h3-5,7-8H,6H2,1-2H3,(H,19,20)