[2-[2-acetyloxyethanoyl(tert-butyl)amino]-4-(6-sulfanylidene-1H-pyridazin-3-yl)phenyl]methyl ethanoate

Systemtic Name: [2-[2-acetyloxyethanoyl(tert-butyl)amino]-4-(6-sulfanylidene-1H-pyridazin-3-yl)phenyl]methyl ethanoate Openeye Name: [2-[(2-acetoxyacetyl)-tert-butyl-amino]-4-(6-thioxo-1H-pyridazin-3-yl)phenyl]methyl acetate CAS Name: acetic acid [2-[(2-acetyloxy-1-oxoethyl)-tert-butylamino]-4-(6-sulfanylidene-1H-pyridazin-3-yl)phenyl]methyl ester IUPAC Name: [2-[(2-acetyloxyacetyl)-tert-butylamino]-4-(6-sulfanylidene-1H-pyridazin-3-yl)phenyl]methyl acetate Traditional Name: acetic acid [2-[(2-acetoxyacetyl)-tert-butyl-amino]-4-(6-thioxo-1H-pyridazin-3-yl)benzyl] ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(C=C(C=C1)C2=NNC(=S)C=C2)N(C(=O)COC(=O)C)C(C)(C)C

Isomeric SMILES

CC(=O)OCC1=C(C=C(C=C1)C2=NNC(=S)C=C2)N(C(=O)COC(=O)C)C(C)(C)C

InChI

InChI=1S/C21H25N3O5S/c1-13(25)28-11-16-7-6-15(17-8-9-19(30)23-22-17)10-18(16)24(21(3,4)5)20(27)12-29-14(2)26/h6-10H,11-12H2,1-5H3,(H,23,30)