(2S)-2-[2-[3-(4-chlorophenyl)-5-methyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl]ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-[3-(4-chlorophenyl)-5-methyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-[3-(4-chlorophenyl)-5-methyl-7-oxo-furo[3,2-g]chromen-6-yl]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[3-(4-chlorophenyl)-5-methyl-7-oxo-6-furo[3,2-g][1]benzopyranyl]-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-[3-(4-chlorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-[3-(4-chlorophenyl)-7-keto-5-methyl-furo[3,2-g]chromen-6-yl]acetyl]amino]-4-(methylthio)butyrate Formula: C25H21ClNO6S- MolecularWeight: 498.95534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC=C(C=C4)Cl)CC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC=C(C=C4)Cl)CC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C25H22ClNO6S/c1-13-16-9-18-19(14-3-5-15(26)6-4-14)12-32-21(18)11-22(16)33-25(31)17(13)10-23(28)27-20(24(29)30)7-8-34-2/h3-6,9,11-12,20H,7-8,10H2,1-2H3,(H,27,28)(H,29,30)/p-1/t20-/m0/s1