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

Systemtic Name: 2-[2-[4-(4-methoxyphenyl)-2-oxidanylidene-chromen-7-yl]oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[[2-[4-(4-methoxyphenyl)-2-oxo-chromen-7-yl]oxyacetyl]amino]propanoic acid CAS Name: 2-[[2-[[4-(4-methoxyphenyl)-2-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetyl]amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[[2-[2-keto-4-(4-methoxyphenyl)chromen-7-yl]oxyacetyl]amino]propionic acid Formula: C28H25NO7S MolecularWeight: 519.5656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)OCC(=O)NC(CSCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)OCC(=O)NC(CSCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H25NO7S/c1-34-20-9-7-19(8-10-20)23-14-27(31)36-25-13-21(11-12-22(23)25)35-15-26(30)29-24(28(32)33)17-37-16-18-5-3-2-4-6-18/h2-14,24H,15-17H2,1H3,(H,29,30)(H,32,33)