3-(4-azanylbutyl)-2-(3-bromanylthiophen-2-yl)-7-chloranyl-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(3-bromanylthiophen-2-yl)-7-chloranyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(3-bromo-2-thienyl)-7-chloro-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(3-bromo-2-thiophenyl)-7-chloro-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(3-bromothiophen-2-yl)-7-chloro-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(3-bromo-2-thienyl)-7-chloro-1H-indole-4-carboxylic acid Formula: C17H16BrClN2O2S MolecularWeight: 427.74314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1C(=O)O)C(=C(N2)C3=C(C=CS3)Br)CCCCN)Cl

Isomeric SMILES

C1=CC(=C2C(=C1C(=O)O)C(=C(N2)C3=C(C=CS3)Br)CCCCN)Cl

InChI

InChI=1S/C17H16BrClN2O2S/c18-11-6-8-24-16(11)14-9(3-1-2-7-20)13-10(17(22)23)4-5-12(19)15(13)21-14/h4-6,8,21H,1-3,7,20H2,(H,22,23)