(3-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: (3-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (3-chloro-4-methyl-2-oxo-chromen-7-yl) 3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid (3-chloro-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3-chloro-4-methyl-2-oxochromen-7-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 3-methyl-2-(tosylamino)butyric acid (3-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C22H22ClNO6S MolecularWeight: 463.93118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OC2=CC3=C(C=C2)C(=C(C(=O)O3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OC2=CC3=C(C=C2)C(=C(C(=O)O3)Cl)C

InChI

InChI=1S/C22H22ClNO6S/c1-12(2)20(24-31(27,28)16-8-5-13(3)6-9-16)22(26)29-15-7-10-17-14(4)19(23)21(25)30-18(17)11-15/h5-12,20,24H,1-4H3