3-[(6-ethyl-4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate

Systemtic Name: 3-[(6-ethyl-4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: 3-[[6-ethyl-4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate CAS Name: 3-[(6-ethyl-4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]propanoate IUPAC Name: 3-[(6-ethyl-4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate Traditional Name: 3-[[6-ethyl-4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propionate Formula: C15H13N2O3S3- MolecularWeight: 365.47032

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(NC2=O)SCCC(=O)[O-])C3=CC=CS3

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(NC2=O)SCCC(=O)[O-])C3=CC=CS3

InChI

InChI=1S/C15H14N2O3S3/c1-2-8-11(9-4-3-6-21-9)12-13(20)16-15(17-14(12)23-8)22-7-5-10(18)19/h3-4,6H,2,5,7H2,1H3,(H,18,19)(H,16,17,20)/p-1