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

Systemtic Name: 3-oxidanylidene-2-phenoxy-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylcarbonylamino)butanoic acid Openeye Name: 3-oxo-2-phenoxy-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonylamino)butanoic acid CAS Name: 3-oxo-4-[[oxo(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)methyl]amino]-2-phenoxybutanoic acid IUPAC Name: 3-oxo-2-phenoxy-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonylamino)butanoic acid Traditional Name: 3-keto-2-phenoxy-4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonylamino)butyric acid Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S/c21-13(16(18(23)24)25-12-4-2-1-3-5-12)10-20-17(22)15-8-11-9-19-7-6-14(11)26-15/h1-5,8,16,19H,6-7,9-10H2,(H,20,22)(H,23,24)