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

Systemtic Name: methyl 4-[[methyl-(1-thiophen-2-ylcarbonylpiperidin-3-yl)carbonyl-amino]methyl]benzoate Openeye Name: methyl 4-[[methyl-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]amino]methyl]benzoate CAS Name: 4-[[methyl-[oxo-[1-[oxo(thiophen-2-yl)methyl]-3-piperidinyl]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[methyl-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[methyl-[1-(2-thenoyl)nipecotoyl]amino]methyl]benzoic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2CCCN(C2)C(=O)C3=CC=CS3

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2CCCN(C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H24N2O4S/c1-22(13-15-7-9-16(10-8-15)21(26)27-2)19(24)17-5-3-11-23(14-17)20(25)18-6-4-12-28-18/h4,6-10,12,17H,3,5,11,13-14H2,1-2H3