(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 3-methyl-2-(tosylamino)butyric acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C26H25NO6S MolecularWeight: 479.5448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C26H25NO6S/c1-16(2)25(27-34(30,31)20-11-8-17(3)9-12-20)26(29)32-15-19-14-23(28)33-22-13-10-18-6-4-5-7-21(18)24(19)22/h4-14,16,25,27H,15H2,1-3H3