2-[6-chloranyl-4-methyl-7-(2-methylprop-2-enoxy)-2-oxidanylidene-chromen-3-yl]-N-[(2S)-4-methylsulfanyl-1-oxidanyl-butan-2-yl]ethanamide

Systemtic Name: 2-[6-chloranyl-4-methyl-7-(2-methylprop-2-enoxy)-2-oxidanylidene-chromen-3-yl]-N-[(2S)-4-methylsulfanyl-1-oxidanyl-butan-2-yl]ethanamide Openeye Name: 2-[6-chloro-4-methyl-7-(2-methylallyloxy)-2-oxo-chromen-3-yl]-N-[(1S)-1-(hydroxymethyl)-3-methylsulfanyl-propyl]acetamide CAS Name: 2-[6-chloro-4-methyl-7-(2-methylprop-2-enoxy)-2-oxo-1-benzopyran-3-yl]-N-[(2S)-1-hydroxy-4-(methylthio)butan-2-yl]acetamide IUPAC Name: 2-[6-chloro-4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide Traditional Name: 2-[6-chloro-2-keto-4-methyl-7-(2-methylallyloxy)chromen-3-yl]-N-[(1S)-1-methylol-3-(methylthio)propyl]acetamide Formula: C21H26ClNO5S MolecularWeight: 439.95284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=C)C)CC(=O)NC(CCSC)CO

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=C)C)CC(=O)N[C@@H](CCSC)CO

InChI

InChI=1S/C21H26ClNO5S/c1-12(2)11-27-19-9-18-15(7-17(19)22)13(3)16(21(26)28-18)8-20(25)23-14(10-24)5-6-29-4/h7,9,14,24H,1,5-6,8,10-11H2,2-4H3,(H,23,25)/t14-/m0/s1