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

Systemtic Name: 2-[5-(4-chloranyl-3-methyl-phenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoic acid Openeye Name: 2-[5-(4-chloro-3-methyl-phenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetic acid CAS Name: 2-[5-(4-chloro-3-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid IUPAC Name: 2-[5-(4-chloro-3-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid Traditional Name: 2-[5-(4-chloro-3-methyl-phenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]acetic acid Formula: C15H11ClN2O3S MolecularWeight: 334.77744

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H11ClN2O3S/c1-8-4-9(2-3-11(8)16)10-6-22-14-13(10)15(21)18(7-17-14)5-12(19)20/h2-4,6-7H,5H2,1H3,(H,19,20)