4-(indol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-(indol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid Openeye Name: 4-(indol-1-ylmethyl)thiazole-2-carboxylic acid CAS Name: 4-(1-indolylmethyl)-2-thiazolecarboxylic acid IUPAC Name: 4-(indol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid Traditional Name: 4-(indol-1-ylmethyl)thiazole-2-carboxylic acid Formula: C13H10N2O2S MolecularWeight: 258.2957

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN2CC3=CSC(=N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN2CC3=CSC(=N3)C(=O)O

InChI

InChI=1S/C13H10N2O2S/c16-13(17)12-14-10(8-18-12)7-15-6-5-9-3-1-2-4-11(9)15/h1-6,8H,7H2,(H,16,17)