(7-methyl-2-oxidanylidene-4-propyl-chromen-5-yl) (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: (7-methyl-2-oxidanylidene-4-propyl-chromen-5-yl) (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (7-methyl-2-oxo-4-propyl-chromen-5-yl) (2S)-3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid (7-methyl-2-oxo-4-propyl-1-benzopyran-5-yl) ester IUPAC Name: (7-methyl-2-oxo-4-propylchromen-5-yl) (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-(tosylamino)butyric acid (2-keto-7-methyl-4-propyl-chromen-5-yl) ester Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)C(C(C)C)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)[C@H](C(C)C)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H29NO6S/c1-6-7-18-14-22(27)31-20-12-17(5)13-21(23(18)20)32-25(28)24(15(2)3)26-33(29,30)19-10-8-16(4)9-11-19/h8-15,24,26H,6-7H2,1-5H3/t24-/m0/s1