(2S)-2-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[3-(7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[3-(7-hydroxy-2-keto-4,8-dimethyl-chromen-3-yl)propanoylamino]-4-(methylthio)butyrate Formula: C19H22NO6S- MolecularWeight: 392.44608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C19H23NO6S/c1-10-12-4-6-15(21)11(2)17(12)26-19(25)13(10)5-7-16(22)20-14(18(23)24)8-9-27-3/h4,6,14,21H,5,7-9H2,1-3H3,(H,20,22)(H,23,24)/p-1/t14-/m0/s1