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

Systemtic Name: (3-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (3-chloro-4-methyl-2-oxo-chromen-7-yl) 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid (3-chloro-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3-chloro-4-methyl-2-oxochromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid (3-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C20H18ClNO6S MolecularWeight: 435.87802

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClNO6S/c1-12-3-6-15(7-4-12)29(25,26)22-10-9-18(23)27-14-5-8-16-13(2)19(21)20(24)28-17(16)11-14/h3-8,11,22H,9-10H2,1-2H3