3-methyl-2-[[5-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-1,3-benzothiazol-2-yl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[5-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-1,3-benzothiazol-2-yl]amino]butanoic acid Openeye Name: 3-methyl-2-[[5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,3-benzothiazol-2-yl]amino]butanoic acid CAS Name: 3-methyl-2-[[5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,3-benzothiazol-2-yl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,3-benzothiazol-2-yl]amino]butanoic acid Traditional Name: 2-[[5-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)-1,3-benzothiazol-2-yl]amino]-3-methyl-butyric acid Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC3=C(C=C2)SC(=N3)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC3=C(C=C2)SC(=N3)NC(C(C)C)C(=O)O

InChI

InChI=1S/C17H20N4O3S/c1-8(2)14(16(23)24)19-17-18-11-7-10(4-5-12(11)25-17)15-9(3)6-13(22)20-21-15/h4-5,7-9,14H,6H2,1-3H3,(H,18,19)(H,20,22)(H,23,24)