2-[2-(5-methoxy-4,7-dimethyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-methylsulfanyl-propanoic acid

Systemtic Name: 2-[2-(5-methoxy-4,7-dimethyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[2-(5-methoxy-4,7-dimethyl-2-oxo-chromen-3-yl)acetyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[2-(5-methoxy-4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[2-(2-keto-5-methoxy-4,7-dimethyl-chromen-3-yl)acetyl]amino]-3-(methylthio)propionic acid Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NC(CSC)C(=O)O)C)C(=C1)OC

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NC(CSC)C(=O)O)C)C(=C1)OC

InChI

InChI=1S/C18H21NO6S/c1-9-5-13(24-3)16-10(2)11(18(23)25-14(16)6-9)7-15(20)19-12(8-26-4)17(21)22/h5-6,12H,7-8H2,1-4H3,(H,19,20)(H,21,22)