(2S)-2-[2-(5-methyl-7-oxidanylidene-3-phenyl-furo[3,2-g]chromen-6-yl)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-(5-methyl-7-oxidanylidene-3-phenyl-furo[3,2-g]chromen-6-yl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-(5-methyl-7-oxo-3-phenyl-furo[3,2-g]chromen-6-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(5-methyl-7-oxo-3-phenyl-6-furo[3,2-g][1]benzopyranyl)-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(7-keto-5-methyl-3-phenyl-furo[3,2-g]chromen-6-yl)acetyl]amino]-4-(methylthio)butyrate Formula: C25H22NO6S- MolecularWeight: 464.51028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC=CC=C4)CC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC=CC=C4)CC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C25H23NO6S/c1-14-16-10-18-19(15-6-4-3-5-7-15)13-31-21(18)12-22(16)32-25(30)17(14)11-23(27)26-20(24(28)29)8-9-33-2/h3-7,10,12-13,20H,8-9,11H2,1-2H3,(H,26,27)(H,28,29)/p-1/t20-/m0/s1