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

Systemtic Name: (1R,6S)-6-[[4-(4-chlorophenyl)-3-propan-2-yloxycarbonyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[[4-(4-chlorophenyl)-3-isopropoxycarbonyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[[4-(4-chlorophenyl)-3-[oxo(propan-2-yloxy)methyl]-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[[4-(4-chlorophenyl)-3-propan-2-yloxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[[4-(4-chlorophenyl)-3-isopropoxycarbonyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C22H21ClNO5S- MolecularWeight: 446.92384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClNO5S/c1-12(2)29-22(28)18-17(13-7-9-14(23)10-8-13)11-30-20(18)24-19(25)15-5-3-4-6-16(15)21(26)27/h3-4,7-12,15-16H,5-6H2,1-2H3,(H,24,25)(H,26,27)/p-1/t15-,16+/m0/s1