2-(7-cyano-3-methyl-1-propyl-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-(7-cyano-3-methyl-1-propyl-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(7-cyano-3-methyl-1-propyl-indol-5-yl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-(7-cyano-3-methyl-1-propyl-5-indolyl)-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-(7-cyano-3-methyl-1-propylindol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(7-cyano-3-methyl-1-propyl-indol-5-yl)-4-methyl-thiazole-5-carboxylic acid Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=C1C(=CC(=C2)C3=NC(=C(S3)C(=O)O)C)C#N)C

Isomeric SMILES

CCCN1C=C(C2=C1C(=CC(=C2)C3=NC(=C(S3)C(=O)O)C)C#N)C

InChI

InChI=1S/C18H17N3O2S/c1-4-5-21-9-10(2)14-7-12(6-13(8-19)15(14)21)17-20-11(3)16(24-17)18(22)23/h6-7,9H,4-5H2,1-3H3,(H,22,23)