(phenylmethyl) (2S)-2-[(4-thiophen-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(4-thiophen-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[4-(2-thienyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[oxo-(4-thiophen-2-ylanilino)methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(4-thiophen-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[4-(2-thienyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=CC=CS4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=CC=CS4

InChI

InChI=1S/C23H22N2O3S/c26-22(24-19-12-10-18(11-13-19)21-9-5-15-29-21)20-8-4-14-25(20)23(27)28-16-17-6-2-1-3-7-17/h1-3,5-7,9-13,15,20H,4,8,14,16H2,(H,24,26)/t20-/m0/s1