(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H23NO6S/c1-3-16-6-9-19-17(13-22(25)29-20(19)12-16)14-28-21(24)10-11-23-30(26,27)18-7-4-15(2)5-8-18/h4-9,12-13,23H,3,10-11,14H2,1-2H3