3-(4-azanylbutyl)-2-(1,3-thiazol-2-yl)-1H-indole-5-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(1,3-thiazol-2-yl)-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-thiazol-2-yl-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(2-thiazolyl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(1,3-thiazol-2-yl)-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-thiazol-2-yl-1H-indole-5-carboxylic acid Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)C(=C(N2)C3=NC=CS3)CCCCN

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)C(=C(N2)C3=NC=CS3)CCCCN

InChI

InChI=1S/C16H17N3O2S/c17-6-2-1-3-11-12-9-10(16(20)21)4-5-13(12)19-14(11)15-18-7-8-22-15/h4-5,7-9,19H,1-3,6,17H2,(H,20,21)