[3,6-bis(chloranyl)-4-methyl-2-oxidanylidene-chromen-7-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [3,6-bis(chloranyl)-4-methyl-2-oxidanylidene-chromen-7-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (3,6-dichloro-4-methyl-2-oxo-chromen-7-yl) 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid (3,6-dichloro-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3,6-dichloro-4-methyl-2-oxochromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid (3,6-dichloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C20H17Cl2NO6S MolecularWeight: 470.32308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=C(C=C3C(=C(C(=O)OC3=C2)Cl)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=C(C=C3C(=C(C(=O)OC3=C2)Cl)C)Cl

InChI

InChI=1S/C20H17Cl2NO6S/c1-11-3-5-13(6-4-11)30(26,27)23-8-7-18(24)28-17-10-16-14(9-15(17)21)12(2)19(22)20(25)29-16/h3-6,9-10,23H,7-8H2,1-2H3