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

Systemtic Name: (4-methyl-2-oxidanylidene-3-propyl-chromen-7-yl) (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (4-methyl-2-oxo-3-propyl-chromen-7-yl) (2S)-3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid (4-methyl-2-oxo-3-propyl-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxo-3-propylchromen-7-yl) (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-(tosylamino)butyric acid (2-keto-4-methyl-3-propyl-chromen-7-yl) ester Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C=C(C=C2)OC(=O)C(C(C)C)NS(=O)(=O)C3=CC=C(C=C3)C)OC1=O)C

Isomeric SMILES

CCCC1=C(C2=C(C=C(C=C2)OC(=O)[C@H](C(C)C)NS(=O)(=O)C3=CC=C(C=C3)C)OC1=O)C

InChI

InChI=1S/C25H29NO6S/c1-6-7-21-17(5)20-13-10-18(14-22(20)32-24(21)27)31-25(28)23(15(2)3)26-33(29,30)19-11-8-16(4)9-12-19/h8-15,23,26H,6-7H2,1-5H3/t23-/m0/s1