(1S,6S)-6-[[4-(4-fluorophenyl)-3-methoxycarbonyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[[4-(4-fluorophenyl)-3-methoxycarbonyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[[4-(4-fluorophenyl)-3-methoxycarbonyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[[4-(4-fluorophenyl)-3-methoxycarbonyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[[4-(4-fluorophenyl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[[3-carbomethoxy-4-(4-fluorophenyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C20H17FNO5S- MolecularWeight: 402.416083

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H18FNO5S/c1-27-20(26)16-15(11-6-8-12(21)9-7-11)10-28-18(16)22-17(23)13-4-2-3-5-14(13)19(24)25/h2-3,6-10,13-14H,4-5H2,1H3,(H,22,23)(H,24,25)/p-1/t13-,14-/m0/s1