5-(4-bromophenyl)-3-[(4-ethoxycarbonylpiperidin-1-yl)carbonylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-(4-bromophenyl)-3-[(4-ethoxycarbonylpiperidin-1-yl)carbonylamino]thiophene-2-carboxylic acid Openeye Name: 5-(4-bromophenyl)-3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]thiophene-2-carboxylic acid CAS Name: 5-(4-bromophenyl)-3-[[(4-ethoxycarbonyl-1-piperidinyl)-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-bromophenyl)-3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]thiophene-2-carboxylic acid Traditional Name: 5-(4-bromophenyl)-3-[(4-carbethoxypiperidine-1-carbonyl)amino]-2-thenoic acid Formula: C20H21BrN2O5S MolecularWeight: 481.36014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C20H21BrN2O5S/c1-2-28-19(26)13-7-9-23(10-8-13)20(27)22-15-11-16(29-17(15)18(24)25)12-3-5-14(21)6-4-12/h3-6,11,13H,2,7-10H2,1H3,(H,22,27)(H,24,25)