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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C1C=C(C=C2C#N)C3=NC(=C(S3)C(=O)O)C)C(C)C

Isomeric SMILES

CC1=CN(C2=C1C=C(C=C2C#N)C3=NC(=C(S3)C(=O)O)C)C(C)C

InChI

InChI=1S/C18H17N3O2S/c1-9(2)21-8-10(3)14-6-12(5-13(7-19)15(14)21)17-20-11(4)16(24-17)18(22)23/h5-6,8-9H,1-4H3,(H,22,23)