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

Systemtic Name: 3-(4-azanylbutyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-methyl-2-thiazol-2-yl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-methyl-2-(2-thiazolyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-methyl-2-thiazol-2-yl-1H-indole-4-carboxylic acid Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2S/c1-10-5-6-12(17(21)22)13-11(4-2-3-7-18)15(20-14(10)13)16-19-8-9-23-16/h5-6,8-9,20H,2-4,7,18H2,1H3,(H,21,22)