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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c1-13-7-8-14(20(25)26-2)11-16(13)21-18(23)15-5-3-9-22(12-15)19(24)17-6-4-10-27-17/h4,6-8,10-11,15H,3,5,9,12H2,1-2H3,(H,21,23)