2-[2-(6,7-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[2-(6,7-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[[2-(6,7-dimethoxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]propanoic acid CAS Name: 2-[[2-(6,7-dimethoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[2-(6,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[[2-(2-keto-6,7-dimethoxy-4-methyl-chromen-3-yl)acetyl]amino]propionic acid Formula: C24H25NO7S MolecularWeight: 471.5228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)OC)OC)CC(=O)NC(CSCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)OC)OC)CC(=O)NC(CSCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H25NO7S/c1-14-16-9-20(30-2)21(31-3)11-19(16)32-24(29)17(14)10-22(26)25-18(23(27)28)13-33-12-15-7-5-4-6-8-15/h4-9,11,18H,10,12-13H2,1-3H3,(H,25,26)(H,27,28)