ethyl 4-[3-(2-methylsulfanylbutan-2-ylamino)-2-oxidanyl-propoxy]-1H-indole-2-carboxylate

Systemtic Name: ethyl 4-[3-(2-methylsulfanylbutan-2-ylamino)-2-oxidanyl-propoxy]-1H-indole-2-carboxylate Openeye Name: ethyl 4-[2-hydroxy-3-[(1-methyl-1-methylsulfanyl-propyl)amino]propoxy]-1H-indole-2-carboxylate CAS Name: 4-[2-hydroxy-3-[2-(methylthio)butan-2-ylamino]propoxy]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-hydroxy-3-(2-methylsulfanylbutan-2-ylamino)propoxy]-1H-indole-2-carboxylate Traditional Name: 4-[2-hydroxy-3-[[1-methyl-1-(methylthio)propyl]amino]propoxy]-1H-indole-2-carboxylic acid ethyl ester Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O4S/c1-5-19(3,26-4)20-11-13(22)12-25-17-9-7-8-15-14(17)10-16(21-15)18(23)24-6-2/h7-10,13,20-22H,5-6,11-12H2,1-4H3