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

Systemtic Name: (1R,2R)-2-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2R)-2-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-2-thienyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2R)-2-[[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2R)-2-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2R)-2-[[3-carbethoxy-4-(3,4-dimethylphenyl)-2-thienyl]carbamoyl]cyclohexanecarboxylate Formula: C23H26NO5S- MolecularWeight: 428.52124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO5S/c1-4-29-23(28)19-18(15-10-9-13(2)14(3)11-15)12-30-21(19)24-20(25)16-7-5-6-8-17(16)22(26)27/h9-12,16-17H,4-8H2,1-3H3,(H,24,25)(H,26,27)/p-1/t16-,17-/m1/s1