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

Systemtic Name: 2-[2-(3-tert-butyl-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)acetyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxoethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[2-(3-tert-butyl-7-keto-5,9-dimethyl-furo[3,2-g]chromen-6-yl)acetyl]amino]-3-(methylthio)propionic acid Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO6S/c1-11-13-7-15-16(23(3,4)5)9-29-19(15)12(2)20(13)30-22(28)14(11)8-18(25)24-17(10-31-6)21(26)27/h7,9,17H,8,10H2,1-6H3,(H,24,25)(H,26,27)