2-[2-(4-ethyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxyethanoylamino]-3-methylsulfanyl-propanoic acid

Systemtic Name: 2-[2-(4-ethyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxyethanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[2-(4-ethyl-7-methyl-2-oxo-chromen-5-yl)oxyacetyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[2-[(4-ethyl-7-methyl-2-oxo-1-benzopyran-5-yl)oxy]-1-oxoethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[2-(4-ethyl-2-keto-7-methyl-chromen-5-yl)oxyacetyl]amino]-3-(methylthio)propionic acid Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NC(CSC)C(=O)O

Isomeric SMILES

CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NC(CSC)C(=O)O

InChI

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