1,6-dimethyl-3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]indole-2-carboxylic acid

Systemtic Name: 1,6-dimethyl-3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]indole-2-carboxylic acid Openeye Name: 1,6-dimethyl-3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]indole-2-carboxylic acid CAS Name: 1,6-dimethyl-3-[[2-[4-(methylthio)phenyl]ethylamino]methyl]-2-indolecarboxylic acid IUPAC Name: 1,6-dimethyl-3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]indole-2-carboxylic acid Traditional Name: 1,6-dimethyl-3-[[2-[4-(methylthio)phenyl]ethylamino]methyl]indole-2-carboxylic acid Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N2C)C(=O)O)CNCCC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2C)C(=O)O)CNCCC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H24N2O2S/c1-14-4-9-17-18(20(21(24)25)23(2)19(17)12-14)13-22-11-10-15-5-7-16(26-3)8-6-15/h4-9,12,22H,10-11,13H2,1-3H3,(H,24,25)