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

Systemtic Name: 3-[6-ethyl-5-(3-methoxyphenyl)-2-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[6-ethyl-5-(3-methoxyphenyl)-2-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-[6-ethyl-5-(3-methoxyphenyl)-2-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[6-ethyl-5-(3-methoxyphenyl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 3-[6-ethyl-4-keto-5-(3-methoxyphenyl)-2-methyl-thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(N(C2=O)CCC(=O)O)C)C3=CC(=CC=C3)OC

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(N(C2=O)CCC(=O)O)C)C3=CC(=CC=C3)OC

InChI

InChI=1S/C19H20N2O4S/c1-4-14-16(12-6-5-7-13(10-12)25-3)17-18(26-14)20-11(2)21(19(17)24)9-8-15(22)23/h5-7,10H,4,8-9H2,1-3H3,(H,22,23)