ethyl 3-acetamido-5-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-acetamido-5-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]-1H-indole-2-carboxylate Openeye Name: ethyl 3-acetamido-5-[[(4,5-dimethylthiazol-2-yl)amino]methyl]-1H-indole-2-carboxylate CAS Name: 3-acetamido-5-[[(4,5-dimethyl-2-thiazolyl)amino]methyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-acetamido-5-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]-1H-indole-2-carboxylate Traditional Name: 3-acetamido-5-[[(4,5-dimethylthiazol-2-yl)amino]methyl]-1H-indole-2-carboxylic acid ethyl ester Formula: C19H22N4O3S MolecularWeight: 386.46798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)CNC3=NC(=C(S3)C)C)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)CNC3=NC(=C(S3)C)C)NC(=O)C

InChI

InChI=1S/C19H22N4O3S/c1-5-26-18(25)17-16(22-12(4)24)14-8-13(6-7-15(14)23-17)9-20-19-21-10(2)11(3)27-19/h6-8,23H,5,9H2,1-4H3,(H,20,21)(H,22,24)