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

Systemtic Name: (1R,6S)-6-[[4-(2,5-dimethylphenyl)-3-propan-2-yloxycarbonyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[[4-(2,5-dimethylphenyl)-3-isopropoxycarbonyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[[4-(2,5-dimethylphenyl)-3-[oxo(propan-2-yloxy)methyl]-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[[4-(2,5-dimethylphenyl)-3-propan-2-yloxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[[4-(2,5-dimethylphenyl)-3-isopropoxycarbonyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C24H26NO5S- MolecularWeight: 440.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC(C)C)NC(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC(C)C)NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-]

InChI

InChI=1S/C24H27NO5S/c1-13(2)30-24(29)20-19(18-11-14(3)9-10-15(18)4)12-31-22(20)25-21(26)16-7-5-6-8-17(16)23(27)28/h5-6,9-13,16-17H,7-8H2,1-4H3,(H,25,26)(H,27,28)/p-1/t16-,17+/m0/s1