1-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]methyl]phenyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]methyl]phenyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[[allyl-(4,5-dimethylthiazol-2-yl)amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-[[(4,5-dimethyl-2-thiazolyl)-prop-2-enylamino]methyl]phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)-prop-2-enylamino]methyl]benzoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[[allyl-(4,5-dimethylthiazol-2-yl)amino]methyl]benzoyl]proline Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N(CC=C)CC2=CC=C(C=C2)C(=O)N3CCCC3C(=O)O)C

Isomeric SMILES

CC1=C(SC(=N1)N(CC=C)CC2=CC=C(C=C2)C(=O)N3CCCC3C(=O)O)C

InChI

InChI=1S/C21H25N3O3S/c1-4-11-23(21-22-14(2)15(3)28-21)13-16-7-9-17(10-8-16)19(25)24-12-5-6-18(24)20(26)27/h4,7-10,18H,1,5-6,11-13H2,2-3H3,(H,26,27)