2-[3-(3-tert-butyl-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]-3-methylsulfanyl-propanoic acid

Systemtic Name: 2-[3-(3-tert-butyl-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[3-(3-tert-butyl-5,9-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[3-(3-tert-butyl-5,9-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[3-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[3-(3-tert-butyl-7-keto-5,9-dimethyl-furo[3,2-g]chromen-6-yl)propanoylamino]-3-(methylthio)propionic acid Formula: C24H29NO6S MolecularWeight: 459.55516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C(C)(C)C)CCC(=O)NC(CSC)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C(C)(C)C)CCC(=O)NC(CSC)C(=O)O

InChI

InChI=1S/C24H29NO6S/c1-12-14(7-8-19(26)25-18(11-32-6)22(27)28)23(29)31-21-13(2)20-16(9-15(12)21)17(10-30-20)24(3,4)5/h9-10,18H,7-8,11H2,1-6H3,(H,25,26)(H,27,28)