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

Systemtic Name: 2-phenoxy-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylcarbonylamino)butanoic acid Openeye Name: 2-phenoxy-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-phenoxybutanoic acid IUPAC Name: 2-phenoxy-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonylamino)butanoic acid Traditional Name: 2-phenoxy-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonylamino)butyric acid Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S/c21-17(16-10-12-11-19-8-7-15(12)25-16)20-9-6-14(18(22)23)24-13-4-2-1-3-5-13/h1-5,10,14,19H,6-9,11H2,(H,20,21)(H,22,23)