[(Z)-4-(tert-butylamino)-4-oxidanylidene-but-2-en-2-yl] 4-chloranyl-2-(furan-2-ylmethylamino)-5-methylsulfonyl-benzoate

Systemtic Name: [(Z)-4-(tert-butylamino)-4-oxidanylidene-but-2-en-2-yl] 4-chloranyl-2-(furan-2-ylmethylamino)-5-methylsulfonyl-benzoate Openeye Name: [(Z)-3-(tert-butylamino)-1-methyl-3-oxo-prop-1-enyl] 4-chloro-2-(2-furylmethylamino)-5-methylsulfonyl-benzoate CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-methylsulfonylbenzoic acid [(Z)-4-(tert-butylamino)-4-oxobut-2-en-2-yl] ester IUPAC Name: [(Z)-4-(tert-butylamino)-4-oxobut-2-en-2-yl] 4-chloro-2-(furan-2-ylmethylamino)-5-methylsulfonylbenzoate Traditional Name: 4-chloro-2-(2-furfurylamino)-5-mesyl-benzoic acid [(Z)-3-(tert-butylamino)-3-keto-1-methyl-prop-1-enyl] ester Formula: C21H25ClN2O6S MolecularWeight: 468.951

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC(C)(C)C)OC(=O)C1=CC(=C(C=C1NCC2=CC=CO2)Cl)S(=O)(=O)C

Isomeric SMILES

C/C(=C/C(=O)NC(C)(C)C)/OC(=O)C1=CC(=C(C=C1NCC2=CC=CO2)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H25ClN2O6S/c1-13(9-19(25)24-21(2,3)4)30-20(26)15-10-18(31(5,27)28)16(22)11-17(15)23-12-14-7-6-8-29-14/h6-11,23H,12H2,1-5H3,(H,24,25)/b13-9-