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

Systemtic Name: 2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[(3-carbethoxy-4-phenyl-2-thienyl)carbamoyl]cyclohexanecarboxylic acid Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-2-27-21(26)17-16(13-8-4-3-5-9-13)12-28-19(17)22-18(23)14-10-6-7-11-15(14)20(24)25/h3-5,8-9,12,14-15H,2,6-7,10-11H2,1H3,(H,22,23)(H,24,25)