(3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (3,4-dimethyl-2-oxo-chromen-7-yl) 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid (3,4-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3,4-dimethyl-2-oxochromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid (2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6S/c1-13-4-7-17(8-5-13)29(25,26)22-11-10-20(23)27-16-6-9-18-14(2)15(3)21(24)28-19(18)12-16/h4-9,12,22H,10-11H2,1-3H3