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

Systemtic Name: (2S)-2-[2-[3-(4-chlorophenyl)-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-[3-(4-chlorophenyl)-2-methyl-4-oxo-chromen-7-yl]oxyacetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[[3-(4-chlorophenyl)-2-methyl-4-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-[3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-[3-(4-chlorophenyl)-4-keto-2-methyl-chromen-7-yl]oxyacetyl]amino]-4-(methylthio)butyrate Formula: C23H21ClNO6S- MolecularWeight: 474.93394

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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-])C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClNO6S/c1-13-21(14-3-5-15(24)6-4-14)22(27)17-8-7-16(11-19(17)31-13)30-12-20(26)25-18(23(28)29)9-10-32-2/h3-8,11,18H,9-10,12H2,1-2H3,(H,25,26)(H,28,29)/p-1/t18-/m0/s1