ethyl 5-[[1-(2-phenoxyethanoyl)piperidin-4-yl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[[1-(2-phenoxyethanoyl)piperidin-4-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[oxo-[1-(1-oxo-2-phenoxyethyl)-4-piperidinyl]methyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[1-(2-phenoxyacetyl)isonipecotoyl]amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3CCN(CC3)C(=O)COC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3CCN(CC3)C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O5S/c1-2-31-25(30)22-15-18-14-19(8-9-21(18)33-22)26-24(29)17-10-12-27(13-11-17)23(28)16-32-20-6-4-3-5-7-20/h3-9,14-15,17H,2,10-13,16H2,1H3,(H,26,29)