2-[2-(2-ethoxy-2-oxidanylidene-ethoxy)phenoxy]-3-oxidanylidene-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylcarbonylamino)butanoic acid

Systemtic Name: 2-[2-(2-ethoxy-2-oxidanylidene-ethoxy)phenoxy]-3-oxidanylidene-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylcarbonylamino)butanoic acid Openeye Name: 2-[2-(2-ethoxy-2-oxo-ethoxy)phenoxy]-3-oxo-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonylamino)butanoic acid CAS Name: 2-[2-(2-ethoxy-2-oxoethoxy)phenoxy]-3-oxo-4-[[oxo(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)methyl]amino]butanoic acid IUPAC Name: 2-[2-(2-ethoxy-2-oxoethoxy)phenoxy]-3-oxo-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonylamino)butanoic acid Traditional Name: 2-[2-(2-ethoxy-2-keto-ethoxy)phenoxy]-3-keto-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonylamino)butyric acid Formula: C22H24N2O8S MolecularWeight: 476.49956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=CC=C1OC(C(=O)CNC(=O)C2=CC3=C(S2)CCNC3)C(=O)O

Isomeric SMILES

CCOC(=O)COC1=CC=CC=C1OC(C(=O)CNC(=O)C2=CC3=C(S2)CCNC3)C(=O)O

InChI

InChI=1S/C22H24N2O8S/c1-2-30-19(26)12-31-15-5-3-4-6-16(15)32-20(22(28)29)14(25)11-24-21(27)18-9-13-10-23-8-7-17(13)33-18/h3-6,9,20,23H,2,7-8,10-12H2,1H3,(H,24,27)(H,28,29)