methyl (2S)-2-[2-(5-chloranylindol-1-yl)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[2-(5-chloranylindol-1-yl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-(5-chloroindol-1-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(5-chloro-1-indolyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(5-chloroindol-1-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(5-chloroindol-1-yl)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C16H19ClN2O3S MolecularWeight: 354.85166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CN1C=CC2=C1C=CC(=C2)Cl

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CN1C=CC2=C1C=CC(=C2)Cl

InChI

InChI=1S/C16H19ClN2O3S/c1-22-16(21)13(6-8-23-2)18-15(20)10-19-7-5-11-9-12(17)3-4-14(11)19/h3-5,7,9,13H,6,8,10H2,1-2H3,(H,18,20)/t13-/m0/s1