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

Systemtic Name: (1S,6S)-6-[[3-ethoxycarbonyl-4-(4-fluorophenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[[3-ethoxycarbonyl-4-(4-fluorophenyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[[3-ethoxycarbonyl-4-(4-fluorophenyl)-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[[3-ethoxycarbonyl-4-(4-fluorophenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[[3-carbethoxy-4-(4-fluorophenyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C21H19FNO5S- MolecularWeight: 416.442663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FNO5S/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/h3-4,7-11,14-15H,2,5-6H2,1H3,(H,23,24)(H,25,26)/p-1/t14-,15-/m0/s1