(2S)-2-[2-[4-(4-methoxyphenyl)-2-oxidanylidene-chromen-7-yl]oxyethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-[4-(4-methoxyphenyl)-2-oxidanylidene-chromen-7-yl]oxyethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-[4-(4-methoxyphenyl)-2-oxo-chromen-7-yl]oxyacetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[[4-(4-methoxyphenyl)-2-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-[2-keto-4-(4-methoxyphenyl)chromen-7-yl]oxyacetyl]amino]-4-(methylthio)butyrate Formula: C23H22NO7S- MolecularWeight: 456.48828

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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(CCSC)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)OCC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C23H23NO7S/c1-29-15-5-3-14(4-6-15)18-12-22(26)31-20-11-16(7-8-17(18)20)30-13-21(25)24-19(23(27)28)9-10-32-2/h3-8,11-12,19H,9-10,13H2,1-2H3,(H,24,25)(H,27,28)/p-1/t19-/m0/s1