(4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(benzylamino)thiazole-4-carboxylate CAS Name: 2-[(phenylmethyl)amino]-4-thiazolecarboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(benzylamino)thiazole-4-carboxylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C23H23N3O3S MolecularWeight: 421.51202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=CSC(=N3)NCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=CSC(=N3)NCC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3S/c27-21(26-12-4-5-13-26)19-10-8-18(9-11-19)15-29-22(28)20-16-30-23(25-20)24-14-17-6-2-1-3-7-17/h1-3,6-11,16H,4-5,12-15H2,(H,24,25)