methyl 4-[[5-chloranyl-3-[(3,4-dimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[5-chloranyl-3-[(3,4-dimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[5-chloro-3-[(3,4-dimethoxyphenyl)methylcarbamoyl]-2-thienyl]carbamoyl]cyclohexanecarboxylate CAS Name: 4-[[[5-chloro-3-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[5-chloro-3-[(3,4-dimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: 4-[[5-chloro-3-(veratrylcarbamoyl)-2-thienyl]carbamoyl]cyclohexanecarboxylic acid methyl ester Formula: C23H27ClN2O6S MolecularWeight: 494.98828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(SC(=C2)Cl)NC(=O)C3CCC(CC3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(SC(=C2)Cl)NC(=O)C3CCC(CC3)C(=O)OC)OC

InChI

InChI=1S/C23H27ClN2O6S/c1-30-17-9-4-13(10-18(17)31-2)12-25-21(28)16-11-19(24)33-22(16)26-20(27)14-5-7-15(8-6-14)23(29)32-3/h4,9-11,14-15H,5-8,12H2,1-3H3,(H,25,28)(H,26,27)