(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(butylsulfonylamino)propanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C18H22ClNO6S MolecularWeight: 415.88838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)C(=O)OCC1=CC(=O)OC2=CC(=C(C=C12)Cl)C

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC1=CC(=O)OC2=CC(=C(C=C12)Cl)C

InChI

InChI=1S/C18H22ClNO6S/c1-4-5-6-27(23,24)20-12(3)18(22)25-10-13-8-17(21)26-16-7-11(2)15(19)9-14(13)16/h7-9,12,20H,4-6,10H2,1-3H3/t12-/m0/s1