(6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) 2-acetamido-4-methylsulfanyl-butanoate

Systemtic Name: (6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) 2-acetamido-4-methylsulfanyl-butanoate Openeye Name: (6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) 2-acetamido-4-methylsulfanyl-butanoate CAS Name: 2-acetamido-4-(methylthio)butanoic acid (6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-yl) ester IUPAC Name: (6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) 2-acetamido-4-methylsulfanylbutanoate Traditional Name: 2-acetamido-4-(methylthio)butyric acid (6-keto-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)OC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2

Isomeric SMILES

CC(=O)NC(CCSC)C(=O)OC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2

InChI

InChI=1S/C20H23NO5S/c1-12(22)21-17(9-10-27-2)20(24)25-13-7-8-15-14-5-3-4-6-16(14)19(23)26-18(15)11-13/h7-8,11,17H,3-6,9-10H2,1-2H3,(H,21,22)