methyl 4-[[(1-thiophen-2-ylcarbonylpiperidin-3-yl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(1-thiophen-2-ylcarbonylpiperidin-3-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[oxo-[1-[oxo(thiophen-2-yl)methyl]-3-piperidinyl]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[1-(2-thenoyl)nipecotoyl]amino]methyl]benzoic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H22N2O4S/c1-26-20(25)15-8-6-14(7-9-15)12-21-18(23)16-4-2-10-22(13-16)19(24)17-5-3-11-27-17/h3,5-9,11,16H,2,4,10,12-13H2,1H3,(H,21,23)