tert-butyl 1-[(2-methoxy-5-phenyl-phenyl)carbamothioyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[(2-methoxy-5-phenyl-phenyl)carbamothioyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[(2-methoxy-5-phenyl-phenyl)carbamothioyl]pyrrolidine-2-carboxylate CAS Name: 1-[(2-methoxy-5-phenylanilino)-sulfanylidenemethyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(2-methoxy-5-phenylphenyl)carbamothioyl]pyrrolidine-2-carboxylate Traditional Name: 1-[(2-methoxy-5-phenyl-phenyl)thiocarbamoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C(=S)NC2=C(C=CC(=C2)C3=CC=CC=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN1C(=S)NC2=C(C=CC(=C2)C3=CC=CC=C3)OC

InChI

InChI=1S/C23H28N2O3S/c1-23(2,3)28-21(26)19-11-8-14-25(19)22(29)24-18-15-17(12-13-20(18)27-4)16-9-6-5-7-10-16/h5-7,9-10,12-13,15,19H,8,11,14H2,1-4H3,(H,24,29)