tert-butyl 4-[[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamoyl]-1,3-thiazinane-3-carboxylate

Systemtic Name: tert-butyl 4-[[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamoyl]-1,3-thiazinane-3-carboxylate Openeye Name: tert-butyl 4-[[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamoyl]-1,3-thiazinane-3-carboxylate CAS Name: 4-[[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-oxomethyl]-1,3-thiazinane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamoyl]-1,3-thiazinane-3-carboxylate Traditional Name: 4-[[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamoyl]-1,3-thiazinane-3-carboxylic acid tert-butyl ester Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC=C(C=C2)NC(=O)C3CCSCN3C(=O)OC(C)(C)C

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC=C(C=C2)NC(=O)C3CCSCN3C(=O)OC(C)(C)C

InChI

InChI=1S/C21H28N4O4S/c1-13-11-17(26)23-24-18(13)14-5-7-15(8-6-14)22-19(27)16-9-10-30-12-25(16)20(28)29-21(2,3)4/h5-8,13,16H,9-12H2,1-4H3,(H,22,27)(H,23,26)