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

Systemtic Name: 3-(4-azanylbutyl)-2-(3-bromanylthiophen-2-yl)-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(3-bromo-2-thienyl)-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(3-bromo-2-thiophenyl)-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(3-bromothiophen-2-yl)-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(3-bromo-2-thienyl)-7-methyl-1H-indole-4-carboxylic acid Formula: C18H19BrN2O2S MolecularWeight: 407.32466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=C(C=CS3)Br)CCCCN

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=C(C=CS3)Br)CCCCN

InChI

InChI=1S/C18H19BrN2O2S/c1-10-5-6-12(18(22)23)14-11(4-2-3-8-20)16(21-15(10)14)17-13(19)7-9-24-17/h5-7,9,21H,2-4,8,20H2,1H3,(H,22,23)