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

Systemtic Name: 2-[2-(4-ethyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[[2-(4-ethyl-7-methyl-2-oxo-chromen-5-yl)oxyacetyl]amino]propanoic acid CAS Name: 2-[[2-[(4-ethyl-7-methyl-2-oxo-1-benzopyran-5-yl)oxy]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[[2-(4-ethyl-2-keto-7-methyl-chromen-5-yl)oxyacetyl]amino]propionic acid Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NC(CSCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NC(CSCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H25NO6S/c1-3-17-11-22(27)31-20-10-15(2)9-19(23(17)20)30-12-21(26)25-18(24(28)29)14-32-13-16-7-5-4-6-8-16/h4-11,18H,3,12-14H2,1-2H3,(H,25,26)(H,28,29)