(4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-acetamido-4-methylsulfanyl-butanoate

Systemtic Name: (4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-acetamido-4-methylsulfanyl-butanoate Openeye Name: (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-acetamido-4-methylsulfanyl-butanoate CAS Name: 2-acetamido-4-(methylthio)butanoic acid (4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester IUPAC Name: (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-acetamido-4-methylsulfanylbutanoate Traditional Name: 2-acetamido-4-(methylthio)butyric acid (4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)OC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2

Isomeric SMILES

CC(=O)NC(CCSC)C(=O)OC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2

InChI

InChI=1S/C19H21NO5S/c1-11(21)20-16(8-9-26-2)19(23)24-12-6-7-14-13-4-3-5-15(13)18(22)25-17(14)10-12/h6-7,10,16H,3-5,8-9H2,1-2H3,(H,20,21)