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

Systemtic Name: 3-(2,6-diethyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl)propanoic acid Openeye Name: 3-[2,6-diethyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-(2,6-diethyl-4-oxo-5-thiophen-2-yl-3-thieno[2,3-d]pyrimidinyl)propanoic acid IUPAC Name: 3-(2,6-diethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid Traditional Name: 3-[2,6-diethyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(N(C2=O)CCC(=O)O)CC)C3=CC=CS3

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(N(C2=O)CCC(=O)O)CC)C3=CC=CS3

InChI

InChI=1S/C17H18N2O3S2/c1-3-10-14(11-6-5-9-23-11)15-16(24-10)18-12(4-2)19(17(15)22)8-7-13(20)21/h5-6,9H,3-4,7-8H2,1-2H3,(H,20,21)