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

Systemtic Name: (1S,2R)-2-[(3-ethoxycarbonyl-5-methyl-thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[(3-ethoxycarbonyl-5-methyl-2-thienyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[[(3-ethoxycarbonyl-5-methyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[(3-carbethoxy-5-methyl-2-thienyl)carbamoyl]cyclohexanecarboxylic acid Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C)NC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O

InChI

InChI=1S/C16H21NO5S/c1-3-22-16(21)12-8-9(2)23-14(12)17-13(18)10-6-4-5-7-11(10)15(19)20/h8,10-11H,3-7H2,1-2H3,(H,17,18)(H,19,20)/t10-,11+/m1/s1