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

Systemtic Name: 2-[3-(2,5-dimethyl-7-oxidanylidene-3-phenyl-furo[3,2-g]chromen-6-yl)propanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[3-(2,5-dimethyl-7-oxo-3-phenyl-furo[3,2-g]chromen-6-yl)propanoylamino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[3-(2,5-dimethyl-7-oxo-3-phenyl-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[3-(2,5-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[3-(7-keto-2,5-dimethyl-3-phenyl-furo[3,2-g]chromen-6-yl)propanoylamino]-3-(methylthio)propionic acid Formula: C26H25NO6S MolecularWeight: 479.5448

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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(CSC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO6S/c1-14-17(9-10-23(28)27-20(13-34-3)25(29)30)26(31)33-21-12-22-19(11-18(14)21)24(15(2)32-22)16-7-5-4-6-8-16/h4-8,11-12,20H,9-10,13H2,1-3H3,(H,27,28)(H,29,30)