2-[2-[4-(4-methoxyphenyl)-8-methyl-2-oxidanylidene-chromen-7-yl]oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[2-[4-(4-methoxyphenyl)-8-methyl-2-oxidanylidene-chromen-7-yl]oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[[2-[4-(4-methoxyphenyl)-8-methyl-2-oxo-chromen-7-yl]oxyacetyl]amino]propanoic acid CAS Name: 2-[[2-[[4-(4-methoxyphenyl)-8-methyl-2-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetyl]amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[[2-[2-keto-4-(4-methoxyphenyl)-8-methyl-chromen-7-yl]oxyacetyl]amino]propionic acid Formula: C29H27NO7S MolecularWeight: 533.59218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=C(C=C3)OC)OCC(=O)NC(CSCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=C(C=C3)OC)OCC(=O)NC(CSCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H27NO7S/c1-18-25(36-15-26(31)30-24(29(33)34)17-38-16-19-6-4-3-5-7-19)13-12-22-23(14-27(32)37-28(18)22)20-8-10-21(35-2)11-9-20/h3-14,24H,15-17H2,1-2H3,(H,30,31)(H,33,34)