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

Systemtic Name: (1R,6S)-6-[[4-(2,4-dimethoxyphenyl)-3-methoxycarbonyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[[4-(2,4-dimethoxyphenyl)-3-methoxycarbonyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[[4-(2,4-dimethoxyphenyl)-3-methoxycarbonyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[[4-(2,4-dimethoxyphenyl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[[3-carbomethoxy-4-(2,4-dimethoxyphenyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C22H22NO7S- MolecularWeight: 444.47758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3CC=CCC3C(=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])OC

InChI

InChI=1S/C22H23NO7S/c1-28-12-8-9-13(17(10-12)29-2)16-11-31-20(18(16)22(27)30-3)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+/m0/s1