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

Systemtic Name: 2-[2-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[2-(3,5-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)acetyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[2-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxoethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[2-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)acetyl]amino]-3-(methylthio)propionic acid Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)NC(CSC)C(=O)O)C

Isomeric SMILES

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)NC(CSC)C(=O)O)C

InChI

InChI=1S/C19H19NO6S/c1-9-7-25-15-6-16-12(4-11(9)15)10(2)13(19(24)26-16)5-17(21)20-14(8-27-3)18(22)23/h4,6-7,14H,5,8H2,1-3H3,(H,20,21)(H,22,23)