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

Systemtic Name: 3-[(6-methyl-4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[[6-methyl-4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 3-[(6-methyl-4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]propanoic acid IUPAC Name: 3-[(6-methyl-4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[[4-keto-6-methyl-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propionic acid Formula: C14H12N2O3S3 MolecularWeight: 352.45168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)SCCC(=O)O)C3=CC=CS3

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)SCCC(=O)O)C3=CC=CS3

InChI

InChI=1S/C14H12N2O3S3/c1-7-10(8-3-2-5-20-8)11-12(19)15-14(16-13(11)22-7)21-6-4-9(17)18/h2-3,5H,4,6H2,1H3,(H,17,18)(H,15,16,19)