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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2CCCCC2C(=O)O)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)C(=O)OC

InChI

InChI=1S/C16H21NO5S/c1-3-9-8-12(16(21)22-2)14(23-9)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