(1S,2S)-2-[[3-ethoxycarbonyl-4-(4-fluorophenyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[[3-ethoxycarbonyl-4-(4-fluorophenyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[[3-ethoxycarbonyl-4-(4-fluorophenyl)-2-thienyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[[3-ethoxycarbonyl-4-(4-fluorophenyl)-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[[3-ethoxycarbonyl-4-(4-fluorophenyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[[3-carbethoxy-4-(4-fluorophenyl)-2-thienyl]carbamoyl]cyclohexanecarboxylate Formula: C21H21FNO5S- MolecularWeight: 418.458543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C3CCCCC3C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C21H22FNO5S/c1-2-28-21(27)17-16(12-7-9-13(22)10-8-12)11-29-19(17)23-18(24)14-5-3-4-6-15(14)20(25)26/h7-11,14-15H,2-6H2,1H3,(H,23,24)(H,25,26)/p-1/t14-,15-/m0/s1