(2S)-2-[2-(2-methyl-4-oxidanylidene-3-phenoxy-chromen-7-yl)oxyethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-(2-methyl-4-oxidanylidene-3-phenoxy-chromen-7-yl)oxyethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-(2-methyl-4-oxo-3-phenoxy-chromen-7-yl)oxyacetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[(2-methyl-4-oxo-3-phenoxy-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(4-keto-2-methyl-3-phenoxy-chromen-7-yl)oxyacetyl]amino]-4-(methylthio)butyrate Formula: C23H22NO7S- MolecularWeight: 456.48828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)NC(CCSC)C(=O)[O-])OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)N[C@@H](CCSC)C(=O)[O-])OC3=CC=CC=C3

InChI

InChI=1S/C23H23NO7S/c1-14-22(31-15-6-4-3-5-7-15)21(26)17-9-8-16(12-19(17)30-14)29-13-20(25)24-18(23(27)28)10-11-32-2/h3-9,12,18H,10-11,13H2,1-2H3,(H,24,25)(H,27,28)/p-1/t18-/m0/s1