ethyl 4-[2-[[3-(1-benzothiophen-2-yl)phenyl]methylsulfinyl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[[3-(1-benzothiophen-2-yl)phenyl]methylsulfinyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[3-(benzothiophen-2-yl)phenyl]methylsulfinyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[3-(1-benzothiophen-2-yl)phenyl]methylsulfinyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[3-(1-benzothiophen-2-yl)phenyl]methylsulfinyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-(benzothiophen-2-yl)benzyl]sulfinylacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H26N2O4S2 MolecularWeight: 470.60424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CS(=O)CC2=CC=CC(=C2)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CS(=O)CC2=CC=CC(=C2)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C24H26N2O4S2/c1-2-30-24(28)26-12-10-25(11-13-26)23(27)17-32(29)16-18-6-5-8-19(14-18)22-15-20-7-3-4-9-21(20)31-22/h3-9,14-15H,2,10-13,16-17H2,1H3