[2-[[4-acetamido-2-(6-sulfanylidene-1H-pyridazin-3-yl)phenyl]-tert-butyl-amino]-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[[4-acetamido-2-(6-sulfanylidene-1H-pyridazin-3-yl)phenyl]-tert-butyl-amino]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[4-acetamido-N-tert-butyl-2-(6-thioxo-1H-pyridazin-3-yl)anilino]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[4-acetamido-N-tert-butyl-2-(6-sulfanylidene-1H-pyridazin-3-yl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-acetamido-N-tert-butyl-2-(6-sulfanylidene-1H-pyridazin-3-yl)anilino]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[4-acetamido-N-tert-butyl-2-(6-thioxo-1H-pyridazin-3-yl)anilino]-2-keto-ethyl] ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)N(C(=O)COC(=O)C)C(C)(C)C)C2=NNC(=S)C=C2

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)N(C(=O)COC(=O)C)C(C)(C)C)C2=NNC(=S)C=C2

InChI

InChI=1S/C20H24N4O4S/c1-12(25)21-14-6-8-17(15(10-14)16-7-9-18(29)23-22-16)24(20(3,4)5)19(27)11-28-13(2)26/h6-10H,11H2,1-5H3,(H,21,25)(H,23,29)