(4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C19H21N3O3S MolecularWeight: 371.45334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=CS1)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

C=CCNC1=NC(=CS1)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C19H21N3O3S/c1-2-9-20-19-21-16(13-26-19)18(24)25-12-14-5-7-15(8-6-14)17(23)22-10-3-4-11-22/h2,5-8,13H,1,3-4,9-12H2,(H,20,21)