(2S)-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]-2-(thiophen-2-ylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]-2-(thiophen-2-ylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxo-pyridazin-4-yl)phenyl]-2-(2-thienylmethoxycarbonylamino)propanoic acid CAS Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxo-4-pyridazinyl)phenyl]-2-[[oxo(thiophen-2-ylmethoxy)methyl]amino]propanoic acid IUPAC Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]-2-(thiophen-2-ylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-3-[4-(3-keto-5-methoxy-2-methyl-pyridazin-4-yl)phenyl]-2-(2-thenyloxycarbonylamino)propionic acid Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C=N1)OC)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)OCC3=CC=CS3

Isomeric SMILES

CN1C(=O)C(=C(C=N1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)OCC3=CC=CS3

InChI

InChI=1S/C21H21N3O6S/c1-24-19(25)18(17(29-2)11-22-24)14-7-5-13(6-8-14)10-16(20(26)27)23-21(28)30-12-15-4-3-9-31-15/h3-9,11,16H,10,12H2,1-2H3,(H,23,28)(H,26,27)/t16-/m0/s1