(1S,2R)-2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thienyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[(3-ethoxycarbonyl-5-methyl-4-phenylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[(3-carbethoxy-5-methyl-4-phenyl-2-thienyl)carbamoyl]cyclohexanecarboxylic acid Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O

InChI

InChI=1S/C22H25NO5S/c1-3-28-22(27)18-17(14-9-5-4-6-10-14)13(2)29-20(18)23-19(24)15-11-7-8-12-16(15)21(25)26/h4-6,9-10,15-16H,3,7-8,11-12H2,1-2H3,(H,23,24)(H,25,26)/t15-,16+/m1/s1