ethyl 4-[4-(1-benzothiophen-2-ylcarbonylamino)butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-(1-benzothiophen-2-ylcarbonylamino)butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-(benzothiophene-2-carbonylamino)butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-[[1-benzothiophen-2-yl(oxo)methyl]amino]-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(1-benzothiophene-2-carbonylamino)butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-(benzothiophene-2-carbonylamino)butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C21H27N3O4S/c1-2-28-21(27)24-12-9-16(10-13-24)23-19(25)8-5-11-22-20(26)18-14-15-6-3-4-7-17(15)29-18/h3-4,6-7,14,16H,2,5,8-13H2,1H3,(H,22,26)(H,23,25)