3-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)-N-(4-methylsulfanyl-1-oxidanyl-butan-2-yl)propanamide

Systemtic Name: 3-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)-N-(4-methylsulfanyl-1-oxidanyl-butan-2-yl)propanamide Openeye Name: 3-(3,5-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)-N-[1-(hydroxymethyl)-3-methylsulfanyl-propyl]propanamide CAS Name: 3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-N-[1-hydroxy-4-(methylthio)butan-2-yl]propanamide IUPAC Name: 3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)propanamide Traditional Name: 3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)-N-[1-methylol-3-(methylthio)propyl]propionamide Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NC(CCSC)CO)C

Isomeric SMILES

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NC(CCSC)CO)C

InChI

InChI=1S/C21H25NO5S/c1-12-11-26-18-9-19-17(8-16(12)18)13(2)15(21(25)27-19)4-5-20(24)22-14(10-23)6-7-28-3/h8-9,11,14,23H,4-7,10H2,1-3H3,(H,22,24)