3-(4-azanylbutyl)-2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-indole-5-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-[2-methoxy-5-(methylthio)phenyl]-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(2-methoxy-5-methylsulfanylphenyl)-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-[2-methoxy-5-(methylthio)phenyl]-1H-indole-5-carboxylic acid Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SC)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN

Isomeric SMILES

COC1=C(C=C(C=C1)SC)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN

InChI

InChI=1S/C21H24N2O3S/c1-26-19-9-7-14(27-2)12-17(19)20-15(5-3-4-10-22)16-11-13(21(24)25)6-8-18(16)23-20/h6-9,11-12,23H,3-5,10,22H2,1-2H3,(H,24,25)