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

Systemtic Name: (1R,6R)-6-[[4-(2,5-dimethylphenyl)-3-methoxycarbonyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-[[4-(2,5-dimethylphenyl)-3-methoxycarbonyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[[[4-(2,5-dimethylphenyl)-3-methoxycarbonyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-[[4-(2,5-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-[[3-carbomethoxy-4-(2,5-dimethylphenyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C22H22NO5S- MolecularWeight: 412.47878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5S/c1-12-8-9-13(2)16(10-12)17-11-29-20(18(17)22(27)28-3)23-19(24)14-6-4-5-7-15(14)21(25)26/h4-5,8-11,14-15H,6-7H2,1-3H3,(H,23,24)(H,25,26)/p-1/t14-,15-/m1/s1