(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2-[methyl(p-tolylsulfonyl)amino]acetate CAS Name: 2-[methyl-(4-methylphenyl)sulfonylamino]acetic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[methyl(tosyl)amino]acetic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H20ClNO6S MolecularWeight: 449.9046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

InChI

InChI=1S/C21H20ClNO6S/c1-13-4-6-16(7-5-13)30(26,27)23(3)11-21(25)28-12-15-9-20(24)29-19-8-14(2)18(22)10-17(15)19/h4-10H,11-12H2,1-3H3