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

Systemtic Name: 2-[2-(3-tert-butyl-5-methyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[2-(3-tert-butyl-5-methyl-7-oxo-furo[3,2-g]chromen-6-yl)acetyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[2-(3-tert-butyl-5-methyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxoethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[2-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[2-(3-tert-butyl-7-keto-5-methyl-furo[3,2-g]chromen-6-yl)acetyl]amino]-3-(methylthio)propionic acid Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6S/c1-11-12-6-14-15(22(2,3)4)9-28-17(14)8-18(12)29-21(27)13(11)7-19(24)23-16(10-30-5)20(25)26/h6,8-9,16H,7,10H2,1-5H3,(H,23,24)(H,25,26)