(1R,6R)-6-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6R)-6-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-[[3-carbethoxy-4-(3,4-dimethylphenyl)-5-methyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C24H26NO5S- MolecularWeight: 440.53194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO5S/c1-5-30-24(29)20-19(16-11-10-13(2)14(3)12-16)15(4)31-22(20)25-21(26)17-8-6-7-9-18(17)23(27)28/h6-7,10-12,17-18H,5,8-9H2,1-4H3,(H,25,26)(H,27,28)/p-1/t17-,18-/m1/s1