(1S,2R)-2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[(3-cyano-4,5-dimethyl-2-thienyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[(3-cyano-4,5-dimethyl-2-thienyl)carbamoyl]cyclohexanecarboxylate Formula: C15H17N2O3S- MolecularWeight: 305.37208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2CCCCC2C(=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C

InChI

InChI=1S/C15H18N2O3S/c1-8-9(2)21-14(12(8)7-16)17-13(18)10-5-3-4-6-11(10)15(19)20/h10-11H,3-6H2,1-2H3,(H,17,18)(H,19,20)/p-1/t10-,11+/m1/s1