3-(2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[(2S)-1-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)butan-2-yl]propanamide

Systemtic Name: 3-(2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[(2S)-1-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)butan-2-yl]propanamide Openeye Name: 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-[[6-oxo-3-(2-thienyl)pyridazin-1-yl]methyl]propyl]propanamide CAS Name: 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-1-(6-oxo-3-thiophen-2-yl-1-pyridazinyl)butan-2-yl]propanamide IUPAC Name: 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]propanamide Traditional Name: 3-(2-keto-1,3-benzoxazol-3-yl)-N-[(1S)-1-[[6-keto-3-(2-thienyl)pyridazin-1-yl]methyl]propyl]propionamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C(=O)C=CC(=N1)C2=CC=CS2)NC(=O)CCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

CC[C@@H](CN1C(=O)C=CC(=N1)C2=CC=CS2)NC(=O)CCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H22N4O4S/c1-2-15(14-26-21(28)10-9-16(24-26)19-8-5-13-31-19)23-20(27)11-12-25-17-6-3-4-7-18(17)30-22(25)29/h3-10,13,15H,2,11-12,14H2,1H3,(H,23,27)/t15-/m0/s1