(4,7-dimethyl-2-oxidanylidene-chromen-5-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (4,7-dimethyl-2-oxidanylidene-chromen-5-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (4,7-dimethyl-2-oxo-chromen-5-yl) 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid (4,7-dimethyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (4,7-dimethyl-2-oxochromen-5-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid (2-keto-4,7-dimethyl-chromen-5-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=CC(=CC3=C2C(=CC(=O)O3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=CC(=CC3=C2C(=CC(=O)O3)C)C

InChI

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