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

Systemtic Name: 2-[2-[4-(4-methoxyphenyl)-2-oxidanylidene-chromen-7-yl]oxyethanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[2-[4-(4-methoxyphenyl)-2-oxo-chromen-7-yl]oxyacetyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[2-[[4-(4-methoxyphenyl)-2-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[2-[2-keto-4-(4-methoxyphenyl)chromen-7-yl]oxyacetyl]amino]-3-(methylthio)propionic acid Formula: C22H21NO7S MolecularWeight: 443.46964

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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(CSC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO7S/c1-28-14-5-3-13(4-6-14)17-10-21(25)30-19-9-15(7-8-16(17)19)29-11-20(24)23-18(12-31-2)22(26)27/h3-10,18H,11-12H2,1-2H3,(H,23,24)(H,26,27)