ethyl 4-[2-[(3-thiophen-3-ylphenyl)methylsulfinyl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(3-thiophen-3-ylphenyl)methylsulfinyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[3-(3-thienyl)phenyl]methylsulfinyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[[3-(3-thiophenyl)phenyl]methylsulfinyl]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3-thiophen-3-ylphenyl)methylsulfinyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-(3-thienyl)benzyl]sulfinylacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CS(=O)CC2=CC=CC(=C2)C3=CSC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CS(=O)CC2=CC=CC(=C2)C3=CSC=C3

InChI

InChI=1S/C20H24N2O4S2/c1-2-26-20(24)22-9-7-21(8-10-22)19(23)15-28(25)14-16-4-3-5-17(12-16)18-6-11-27-13-18/h3-6,11-13H,2,7-10,14-15H2,1H3