2-[2-(7,8-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-methylsulfanyl-propanoic acid

Systemtic Name: 2-[2-(7,8-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[2-(7,8-dimethoxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[2-(7,8-dimethoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[2-(2-keto-7,8-dimethoxy-4-methyl-chromen-3-yl)acetyl]amino]-3-(methylthio)propionic acid Formula: C18H21NO7S MolecularWeight: 395.42684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2OC)OC)CC(=O)NC(CSC)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2OC)OC)CC(=O)NC(CSC)C(=O)O

InChI

InChI=1S/C18H21NO7S/c1-9-10-5-6-13(24-2)16(25-3)15(10)26-18(23)11(9)7-14(20)19-12(8-27-4)17(21)22/h5-6,12H,7-8H2,1-4H3,(H,19,20)(H,21,22)