(2R)-2-[3-(3-tert-butyl-5-methyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]-3-methylsulfanyl-propanoate

Systemtic Name: (2R)-2-[3-(3-tert-butyl-5-methyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]-3-methylsulfanyl-propanoate Openeye Name: (2R)-2-[3-(3-tert-butyl-5-methyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]-3-methylsulfanyl-propanoate CAS Name: (2R)-2-[[3-(3-tert-butyl-5-methyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]amino]-3-(methylthio)propanoate IUPAC Name: (2R)-2-[3-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-3-methylsulfanylpropanoate Traditional Name: (2R)-2-[3-(3-tert-butyl-7-keto-5-methyl-furo[3,2-g]chromen-6-yl)propanoylamino]-3-(methylthio)propionate Formula: C23H26NO6S- MolecularWeight: 444.52064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C(C)(C)C)CCC(=O)NC(CSC)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C(C)(C)C)CCC(=O)N[C@@H](CSC)C(=O)[O-]

InChI

InChI=1S/C23H27NO6S/c1-12-13(6-7-20(25)24-17(11-31-5)21(26)27)22(28)30-19-9-18-15(8-14(12)19)16(10-29-18)23(2,3)4/h8-10,17H,6-7,11H2,1-5H3,(H,24,25)(H,26,27)/p-1/t17-/m0/s1