3-[5-(4-chlorophenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoic acid

Systemtic Name: 3-[5-(4-chlorophenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[5-(4-chlorophenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-[5-(4-chlorophenyl)-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[5-(4-chlorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 3-[5-(4-chlorophenyl)-4-keto-6-methyl-thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C16H13ClN2O3S MolecularWeight: 348.80402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CCC(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CCC(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H13ClN2O3S/c1-9-13(10-2-4-11(17)5-3-10)14-15(23-9)18-8-19(16(14)22)7-6-12(20)21/h2-5,8H,6-7H2,1H3,(H,20,21)