methyl (2R)-2-[2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[2-(6,7-dimethylbenzofuran-3-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[2-(6,7-dimethyl-3-benzofuranyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[2-(6,7-dimethylbenzofuran-3-yl)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C18H23NO4S MolecularWeight: 349.44452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)NC(CCSC)C(=O)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N[C@H](CCSC)C(=O)OC)C

InChI

InChI=1S/C18H23NO4S/c1-11-5-6-14-13(10-23-17(14)12(11)2)9-16(20)19-15(7-8-24-4)18(21)22-3/h5-6,10,15H,7-9H2,1-4H3,(H,19,20)/t15-/m1/s1