methyl 2-[[(4Z)-4-(chloranylsulfonylmethylidene)-6-phenyl-cyclohexa-1,5-dien-1-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[[(4Z)-4-(chloranylsulfonylmethylidene)-6-phenyl-cyclohexa-1,5-dien-1-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[(4Z)-4-(chlorosulfonylmethylene)-6-phenyl-cyclohexa-1,5-diene-1-carbonyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[(4Z)-4-(chlorosulfonylmethylidene)-6-phenyl-1-cyclohexa-1,5-dienyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[(4Z)-4-(chlorosulfonylmethylidene)-6-phenylcyclohexa-1,5-diene-1-carbonyl]amino]-4-methylpentanoate Traditional Name: 2-[[(4Z)-4-(chlorosulfonylmethylene)-6-phenyl-cyclohexa-1,5-diene-1-carbonyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H24ClNO5S MolecularWeight: 437.93696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=CCC(=CS(=O)(=O)Cl)C=C1C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C1=CC/C(=C/S(=O)(=O)Cl)/C=C1C2=CC=CC=C2

InChI

InChI=1S/C21H24ClNO5S/c1-14(2)11-19(21(25)28-3)23-20(24)17-10-9-15(13-29(22,26)27)12-18(17)16-7-5-4-6-8-16/h4-8,10,12-14,19H,9,11H2,1-3H3,(H,23,24)/b15-13-