methyl 2-[(1-ethanoylpiperidin-4-yl)carbonylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(1-ethanoylpiperidin-4-yl)carbonylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-benzyl-thiophene-3-carboxylate CAS Name: 2-[[(1-acetyl-4-piperidinyl)-oxomethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-5-benzylthiophene-3-carboxylate Traditional Name: 2-[(1-acetylisonipecotoyl)amino]-5-benzyl-thiophene-3-carboxylic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H24N2O4S/c1-14(24)23-10-8-16(9-11-23)19(25)22-20-18(21(26)27-2)13-17(28-20)12-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3,(H,22,25)