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

Systemtic Name: (1R,6R)-6-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[[[4-(2-chlorophenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-[[4-(2-chlorophenyl)-3-ethoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-[[3-carbethoxy-4-(2-chlorophenyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C21H19ClNO5S- MolecularWeight: 432.89726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-]

InChI

InChI=1S/C21H20ClNO5S/c1-2-28-21(27)17-15(12-7-5-6-10-16(12)22)11-29-19(17)23-18(24)13-8-3-4-9-14(13)20(25)26/h3-7,10-11,13-14H,2,8-9H2,1H3,(H,23,24)(H,25,26)/p-1/t13-,14-/m1/s1