2-[[4-(3-bromophenyl)-3-ethoxycarbonyl-thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[4-(3-bromophenyl)-3-ethoxycarbonyl-thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[4-(3-bromophenyl)-3-ethoxycarbonyl-2-thienyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[[4-(3-bromophenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[4-(3-bromophenyl)-3-ethoxycarbonylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[4-(3-bromophenyl)-3-carbethoxy-2-thienyl]carbamoyl]cyclohexanecarboxylic acid Formula: C21H22BrNO5S MolecularWeight: 480.37208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)Br)NC(=O)C3CCCCC3C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)Br)NC(=O)C3CCCCC3C(=O)O

InChI

InChI=1S/C21H22BrNO5S/c1-2-28-21(27)17-16(12-6-5-7-13(22)10-12)11-29-19(17)23-18(24)14-8-3-4-9-15(14)20(25)26/h5-7,10-11,14-15H,2-4,8-9H2,1H3,(H,23,24)(H,25,26)