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

Systemtic Name: 2-pyridin-3-yloxy-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylcarbonylamino)butanoic acid Openeye Name: 2-(3-pyridyloxy)-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonylamino)butanoic acid CAS Name: 4-[[oxo(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)methyl]amino]-2-(3-pyridinyloxy)butanoic acid IUPAC Name: 2-pyridin-3-yloxy-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonylamino)butanoic acid Traditional Name: 2-(3-pyridyloxy)-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonylamino)butyric acid Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=C1SC(=C2)C(=O)NCCC(C(=O)O)OC3=CN=CC=C3

Isomeric SMILES

C1CNCC2=C1SC(=C2)C(=O)NCCC(C(=O)O)OC3=CN=CC=C3

InChI

InChI=1S/C17H19N3O4S/c21-16(15-8-11-9-19-6-4-14(11)25-15)20-7-3-13(17(22)23)24-12-2-1-5-18-10-12/h1-2,5,8,10,13,19H,3-4,6-7,9H2,(H,20,21)(H,22,23)