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

Systemtic Name: (3,4-dimethyl-2-oxidanylidene-chromen-7-yl) (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (3,4-dimethyl-2-oxo-chromen-7-yl) (2S)-3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid (3,4-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3,4-dimethyl-2-oxochromen-7-yl) (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-(tosylamino)butyric acid (2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C23H25NO6S MolecularWeight: 443.5127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)OC2=CC3=C(C=C2)C(=C(C(=O)O3)C)C

InChI

InChI=1S/C23H25NO6S/c1-13(2)21(24-31(27,28)18-9-6-14(3)7-10-18)23(26)29-17-8-11-19-15(4)16(5)22(25)30-20(19)12-17/h6-13,21,24H,1-5H3/t21-/m0/s1