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

Systemtic Name: (1R,2S)-2-[[4-(4-fluorophenyl)-3-methoxycarbonyl-5-methyl-thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[[4-(4-fluorophenyl)-3-methoxycarbonyl-5-methyl-2-thienyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[[4-(4-fluorophenyl)-3-methoxycarbonyl-5-methyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[[4-(4-fluorophenyl)-3-methoxycarbonyl-5-methylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[[3-carbomethoxy-4-(4-fluorophenyl)-5-methyl-2-thienyl]carbamoyl]cyclohexanecarboxylate Formula: C21H21FNO5S- MolecularWeight: 418.458543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2CCCCC2C(=O)[O-])C(=O)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C(=O)OC)C3=CC=C(C=C3)F

InChI

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