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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C(C(C)C)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)[C@H](C(C)C)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H25NO6S/c1-5-16-12-21(25)30-20-13-17(8-11-19(16)20)29-23(26)22(14(2)3)24-31(27,28)18-9-6-15(4)7-10-18/h6-14,22,24H,5H2,1-4H3/t22-/m0/s1