4-[3-(2-methylsulfanylpropan-2-ylamino)-2-oxidanyl-propoxy]-1H-indole-2-carboxylic acid

Systemtic Name: 4-[3-(2-methylsulfanylpropan-2-ylamino)-2-oxidanyl-propoxy]-1H-indole-2-carboxylic acid Openeye Name: 4-[2-hydroxy-3-[(1-methyl-1-methylsulfanyl-ethyl)amino]propoxy]-1H-indole-2-carboxylic acid CAS Name: 4-[2-hydroxy-3-[2-(methylthio)propan-2-ylamino]propoxy]-1H-indole-2-carboxylic acid IUPAC Name: 4-[2-hydroxy-3-(2-methylsulfanylpropan-2-ylamino)propoxy]-1H-indole-2-carboxylic acid Traditional Name: 4-[2-hydroxy-3-[[1-methyl-1-(methylthio)ethyl]amino]propoxy]-1H-indole-2-carboxylic acid Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(NCC(COC1=CC=CC2=C1C=C(N2)C(=O)O)O)SC

Isomeric SMILES

CC(C)(NCC(COC1=CC=CC2=C1C=C(N2)C(=O)O)O)SC

InChI

InChI=1S/C16H22N2O4S/c1-16(2,23-3)17-8-10(19)9-22-14-6-4-5-12-11(14)7-13(18-12)15(20)21/h4-7,10,17-19H,8-9H2,1-3H3,(H,20,21)