(1R,2S)-2-[(5-ethyl-3-methoxycarbonyl-4-phenyl-thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[(5-ethyl-3-methoxycarbonyl-4-phenyl-thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[(5-ethyl-3-methoxycarbonyl-4-phenyl-2-thienyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[(5-ethyl-3-methoxycarbonyl-4-phenyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[(5-ethyl-3-methoxycarbonyl-4-phenylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[(3-carbomethoxy-5-ethyl-4-phenyl-2-thienyl)carbamoyl]cyclohexanecarboxylate Formula: C22H24NO5S- MolecularWeight: 414.49466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)C2CCCCC2C(=O)[O-])C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO5S/c1-3-16-17(13-9-5-4-6-10-13)18(22(27)28-2)20(29-16)23-19(24)14-11-7-8-12-15(14)21(25)26/h4-6,9-10,14-15H,3,7-8,11-12H2,1-2H3,(H,23,24)(H,25,26)/p-1/t14-,15+/m0/s1