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

Systemtic Name: (1S,2S)-2-[(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[(3-cyano-4-ethyl-5-methyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)carbamoyl]cyclohexanecarboxylate Formula: C16H19N2O3S- MolecularWeight: 319.39866

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(=O)C2CCCCC2C(=O)[O-])C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])C

InChI

InChI=1S/C16H20N2O3S/c1-3-10-9(2)22-15(13(10)8-17)18-14(19)11-6-4-5-7-12(11)16(20)21/h11-12H,3-7H2,1-2H3,(H,18,19)(H,20,21)/p-1/t11-,12-/m0/s1