(6-methyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: (6-methyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (2S)-3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid (6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester IUPAC Name: (6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-(tosylamino)butyric acid (4-keto-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C25H27NO6S MolecularWeight: 469.54998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OC2=C(C3=C(C=C2)C4=C(CCC4)C(=O)O3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)OC2=C(C3=C(C=C2)C4=C(CCC4)C(=O)O3)C

InChI

InChI=1S/C25H27NO6S/c1-14(2)22(26-33(29,30)17-10-8-15(3)9-11-17)25(28)31-21-13-12-19-18-6-5-7-20(18)24(27)32-23(19)16(21)4/h8-14,22,26H,5-7H2,1-4H3/t22-/m0/s1