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

Systemtic Name: methyl 4-[[5-chloranyl-3-(phenethylcarbamoyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[5-chloro-3-(phenethylcarbamoyl)-2-thienyl]carbamoyl]cyclohexanecarboxylate CAS Name: 4-[[[5-chloro-3-[oxo-(phenethylamino)methyl]-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[5-chloro-3-(phenethylcarbamoyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: 4-[[5-chloro-3-(phenethylcarbamoyl)-2-thienyl]carbamoyl]cyclohexanecarboxylic acid methyl ester Formula: C22H25ClN2O4S MolecularWeight: 448.9629

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)C(=O)NC2=C(C=C(S2)Cl)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CCC(CC1)C(=O)NC2=C(C=C(S2)Cl)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H25ClN2O4S/c1-29-22(28)16-9-7-15(8-10-16)19(26)25-21-17(13-18(23)30-21)20(27)24-12-11-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3,(H,24,27)(H,25,26)