methyl 2-[1-(1,3-benzothiazol-2-yl)-4-(N-tert-butyl-C-methyl-carbonimidoyl)-5-oxidanylidene-4H-pyrazol-3-yl]ethanoate

Systemtic Name: methyl 2-[1-(1,3-benzothiazol-2-yl)-4-(N-tert-butyl-C-methyl-carbonimidoyl)-5-oxidanylidene-4H-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[1-(1,3-benzothiazol-2-yl)-4-(N-tert-butyl-C-methyl-carbonimidoyl)-5-oxo-4H-pyrazol-3-yl]acetate CAS Name: 2-[1-(1,3-benzothiazol-2-yl)-4-(1-tert-butyliminoethyl)-5-oxo-4H-pyrazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(1,3-benzothiazol-2-yl)-4-(N-tert-butyl-C-methylcarbonimidoyl)-5-oxo-4H-pyrazol-3-yl]acetate Traditional Name: 2-[1-(1,3-benzothiazol-2-yl)-4-(N-tert-butyl-C-methyl-carbonimidoyl)-5-keto-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC(C)(C)C)C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC

Isomeric SMILES

CC(=NC(C)(C)C)C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC

InChI

InChI=1S/C19H22N4O3S/c1-11(21-19(2,3)4)16-13(10-15(24)26-5)22-23(17(16)25)18-20-12-8-6-7-9-14(12)27-18/h6-9,16H,10H2,1-5H3