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

Systemtic Name: 3-[5-(4-chloranyl-3-methyl-phenyl)-2-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[5-(4-chloro-3-methyl-phenyl)-2-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-[5-(4-chloro-3-methylphenyl)-2-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[5-(4-chloro-3-methylphenyl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 3-[5-(4-chloro-3-methyl-phenyl)-4-keto-2-methyl-thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C17H15ClN2O3S MolecularWeight: 362.8306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O3S/c1-9-7-11(3-4-13(9)18)12-8-24-16-15(12)17(23)20(10(2)19-16)6-5-14(21)22/h3-4,7-8H,5-6H2,1-2H3,(H,21,22)