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

Systemtic Name: (6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) (2S)-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]butanoic acid (6-chloro-3,4-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-3,4-dimethyl-2-oxochromen-7-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S)-2-(tosylamino)butyric acid (6-chloro-2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C22H22ClNO6S MolecularWeight: 463.93118

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1=C(C=C2C(=C(C(=O)OC2=C1)C)C)Cl)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC[C@@H](C(=O)OC1=C(C=C2C(=C(C(=O)OC2=C1)C)C)Cl)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H22ClNO6S/c1-5-18(24-31(27,28)15-8-6-12(2)7-9-15)22(26)30-20-11-19-16(10-17(20)23)13(3)14(4)21(25)29-19/h6-11,18,24H,5H2,1-4H3/t18-/m0/s1