(2S)-4-methylsulfanyl-2-[3-(3,5,9-trimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[3-(3,5,9-trimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[3-(3,5,9-trimethyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-3-(3,5,9-trimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoate Traditional Name: (2S)-2-[3-(7-keto-3,5,9-trimethyl-furo[3,2-g]chromen-6-yl)propanoylamino]-4-(methylthio)butyrate Formula: C22H24NO6S- MolecularWeight: 430.49406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NC(CCSC)C(=O)[O-])C)C

Isomeric SMILES

CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)CCC(=O)N[C@@H](CCSC)C(=O)[O-])C)C

InChI

InChI=1S/C22H25NO6S/c1-11-10-28-19-13(3)20-16(9-15(11)19)12(2)14(22(27)29-20)5-6-18(24)23-17(21(25)26)7-8-30-4/h9-10,17H,5-8H2,1-4H3,(H,23,24)(H,25,26)/p-1/t17-/m0/s1