(2-methyl-4-oxidanylidene-3-phenoxy-chromen-7-yl) 2-acetamido-4-methylsulfanyl-butanoate

Systemtic Name: (2-methyl-4-oxidanylidene-3-phenoxy-chromen-7-yl) 2-acetamido-4-methylsulfanyl-butanoate Openeye Name: (2-methyl-4-oxo-3-phenoxy-chromen-7-yl) 2-acetamido-4-methylsulfanyl-butanoate CAS Name: 2-acetamido-4-(methylthio)butanoic acid (2-methyl-4-oxo-3-phenoxy-1-benzopyran-7-yl) ester IUPAC Name: (2-methyl-4-oxo-3-phenoxychromen-7-yl) 2-acetamido-4-methylsulfanylbutanoate Traditional Name: 2-acetamido-4-(methylthio)butyric acid (4-keto-2-methyl-3-phenoxy-chromen-7-yl) ester Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CCSC)NC(=O)C)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CCSC)NC(=O)C)OC3=CC=CC=C3

InChI

InChI=1S/C23H23NO6S/c1-14-22(29-16-7-5-4-6-8-16)21(26)18-10-9-17(13-20(18)28-14)30-23(27)19(11-12-31-3)24-15(2)25/h4-10,13,19H,11-12H2,1-3H3,(H,24,25)