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

Systemtic Name: methyl 2-[2-(5-bromanylindol-1-yl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-(5-bromoindol-1-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-(5-bromo-1-indolyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-(5-bromoindol-1-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-(5-bromoindol-1-yl)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C16H19BrN2O3S MolecularWeight: 399.30266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN2O3S/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)