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

Systemtic Name: 3-[5-(4-chloranyl-3-methyl-phenyl)-2-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[5-(4-chloro-3-methyl-phenyl)-2-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-[5-(4-chloro-3-methylphenyl)-2-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[5-(4-chloro-3-methylphenyl)-2-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 3-[5-(4-chloro-3-methyl-phenyl)-2-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C18H17ClN2O3S MolecularWeight: 376.85718

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=CS2)C3=CC(=C(C=C3)Cl)C)C(=O)N1CCC(=O)O

Isomeric SMILES

CCC1=NC2=C(C(=CS2)C3=CC(=C(C=C3)Cl)C)C(=O)N1CCC(=O)O

InChI

InChI=1S/C18H17ClN2O3S/c1-3-14-20-17-16(18(24)21(14)7-6-15(22)23)12(9-25-17)11-4-5-13(19)10(2)8-11/h4-5,8-9H,3,6-7H2,1-2H3,(H,22,23)