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

Systemtic Name: (6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid (6-chloro-3,4-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-3,4-dimethyl-2-oxochromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid (6-chloro-2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C21H20ClNO6S MolecularWeight: 449.9046

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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)C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO6S/c1-12-4-6-15(7-5-12)30(26,27)23-9-8-20(24)28-19-11-18-16(10-17(19)22)13(2)14(3)21(25)29-18/h4-7,10-11,23H,8-9H2,1-3H3