2-[3-(2,5-dimethyl-7-oxidanylidene-3-phenyl-furo[3,2-g]chromen-6-yl)propanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[3-(2,5-dimethyl-7-oxidanylidene-3-phenyl-furo[3,2-g]chromen-6-yl)propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[3-(2,5-dimethyl-7-oxo-3-phenyl-furo[3,2-g]chromen-6-yl)propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-(2,5-dimethyl-7-oxo-3-phenyl-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[3-(2,5-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[3-(7-keto-2,5-dimethyl-3-phenyl-furo[3,2-g]chromen-6-yl)propanoylamino]-4-(methylthio)butyric acid Formula: C27H27NO6S MolecularWeight: 493.57138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO6S/c1-15-18(9-10-24(29)28-21(26(30)31)11-12-35-3)27(32)34-22-14-23-20(13-19(15)22)25(16(2)33-23)17-7-5-4-6-8-17/h4-8,13-14,21H,9-12H2,1-3H3,(H,28,29)(H,30,31)