ethyl 3-[3-(4-ethanoylphenyl)sulfanylphenyl]-3-methoxy-pyrrolidine-1-carboxylate

Systemtic Name: ethyl 3-[3-(4-ethanoylphenyl)sulfanylphenyl]-3-methoxy-pyrrolidine-1-carboxylate Openeye Name: ethyl 3-[3-(4-acetylphenyl)sulfanylphenyl]-3-methoxy-pyrrolidine-1-carboxylate CAS Name: 3-[3-[(4-acetylphenyl)thio]phenyl]-3-methoxy-1-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(4-acetylphenyl)sulfanylphenyl]-3-methoxypyrrolidine-1-carboxylate Traditional Name: 3-[3-[(4-acetylphenyl)thio]phenyl]-3-methoxy-pyrrolidine-1-carboxylic acid ethyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(C1)(C2=CC(=CC=C2)SC3=CC=C(C=C3)C(=O)C)OC

Isomeric SMILES

CCOC(=O)N1CCC(C1)(C2=CC(=CC=C2)SC3=CC=C(C=C3)C(=O)C)OC

InChI

InChI=1S/C22H25NO4S/c1-4-27-21(25)23-13-12-22(15-23,26-3)18-6-5-7-20(14-18)28-19-10-8-17(9-11-19)16(2)24/h5-11,14H,4,12-13,15H2,1-3H3