2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)carbamoyl]bicyclo[2.2.2]octane-3-carboxylic acid

Systemtic Name: 2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)carbamoyl]bicyclo[2.2.2]octane-3-carboxylic acid Openeye Name: 2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)carbamoyl]bicyclo[2.2.2]octane-3-carboxylic acid CAS Name: 2-[[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-oxomethyl]-3-bicyclo[2.2.2]octanecarboxylic acid IUPAC Name: 2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]octane-3-carboxylic acid Traditional Name: 2-[(3-carbethoxy-4-phenyl-2-thienyl)carbamoyl]bicyclo[2.2.2]octane-3-carboxylic acid Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3C4CCC(C3C(=O)O)CC4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3C4CCC(C3C(=O)O)CC4

InChI

InChI=1S/C23H25NO5S/c1-2-29-23(28)19-16(13-6-4-3-5-7-13)12-30-21(19)24-20(25)17-14-8-10-15(11-9-14)18(17)22(26)27/h3-7,12,14-15,17-18H,2,8-11H2,1H3,(H,24,25)(H,26,27)