[5-[(E)-2-(5-bromanylthiophen-2-yl)ethenyl]-4-methyl-3-(2-methylpropanoylamino)-2-oxidanylidene-pyridin-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-[(E)-2-(5-bromanylthiophen-2-yl)ethenyl]-4-methyl-3-(2-methylpropanoylamino)-2-oxidanylidene-pyridin-1-yl] 4-methylbenzenesulfonate Openeye Name: [5-[(E)-2-(5-bromo-2-thienyl)vinyl]-4-methyl-3-(2-methylpropanoylamino)-2-oxo-1-pyridyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-[(E)-2-(5-bromo-2-thiophenyl)ethenyl]-4-methyl-3-[(2-methyl-1-oxopropyl)amino]-2-oxo-1-pyridinyl] ester IUPAC Name: [5-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-4-methyl-3-(2-methylpropanoylamino)-2-oxopyridin-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-[(E)-2-(5-bromo-2-thienyl)vinyl]-3-(isobutyrylamino)-2-keto-4-methyl-1-pyridyl] ester Formula: C23H23BrN2O5S2 MolecularWeight: 551.47312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C=C(C(=C(C2=O)NC(=O)C(C)C)C)C=CC3=CC=C(S3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C=C(C(=C(C2=O)NC(=O)C(C)C)C)/C=C/C3=CC=C(S3)Br

InChI

InChI=1S/C23H23BrN2O5S2/c1-14(2)22(27)25-21-16(4)17(7-8-18-9-12-20(24)32-18)13-26(23(21)28)31-33(29,30)19-10-5-15(3)6-11-19/h5-14H,1-4H3,(H,25,27)/b8-7+