(2R)-2-[2-[4-(4-methoxyphenyl)-2-oxidanylidene-chromen-7-yl]oxyethanoylamino]-3-methylsulfanyl-propanoate

Systemtic Name: (2R)-2-[2-[4-(4-methoxyphenyl)-2-oxidanylidene-chromen-7-yl]oxyethanoylamino]-3-methylsulfanyl-propanoate Openeye Name: (2R)-2-[[2-[4-(4-methoxyphenyl)-2-oxo-chromen-7-yl]oxyacetyl]amino]-3-methylsulfanyl-propanoate CAS Name: (2R)-2-[[2-[[4-(4-methoxyphenyl)-2-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]-3-(methylthio)propanoate IUPAC Name: (2R)-2-[[2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetyl]amino]-3-methylsulfanylpropanoate Traditional Name: (2R)-2-[[2-[2-keto-4-(4-methoxyphenyl)chromen-7-yl]oxyacetyl]amino]-3-(methylthio)propionate Formula: C22H20NO7S- MolecularWeight: 442.4617

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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)N[C@@H](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)/p-1/t18-/m0/s1