2-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[3-(7-methoxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-(7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[3-(2-keto-7-methoxy-4-methyl-chromen-3-yl)propanoylamino]-4-(methylthio)butyric acid Formula: C19H23NO6S MolecularWeight: 393.45402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C19H23NO6S/c1-11-13-5-4-12(25-2)10-16(13)26-19(24)14(11)6-7-17(21)20-15(18(22)23)8-9-27-3/h4-5,10,15H,6-9H2,1-3H3,(H,20,21)(H,22,23)