ethyl 2-[(1-propanoylpiperidin-4-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(1-propanoylpiperidin-4-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(1-propanoyl-4-piperidyl)methylcarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[[1-(1-oxopropyl)-4-piperidinyl]methylamino]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-propanoylpiperidin-4-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-propionyl-4-piperidyl)methylcarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H31N3O4S MolecularWeight: 421.55354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC(CC1)CNC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

Isomeric SMILES

CCC(=O)N1CCC(CC1)CNC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

InChI

InChI=1S/C21H31N3O4S/c1-3-17(25)24-11-9-14(10-12-24)13-22-21(27)23-19-18(20(26)28-4-2)15-7-5-6-8-16(15)29-19/h14H,3-13H2,1-2H3,(H2,22,23,27)