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

Systemtic Name: methyl 4-[[5-chloranyl-3-[(4-fluorophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[5-chloro-3-[(4-fluorophenyl)methylcarbamoyl]-2-thienyl]carbamoyl]cyclohexanecarboxylate CAS Name: 4-[[[5-chloro-3-[[(4-fluorophenyl)methylamino]-oxomethyl]-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[5-chloro-3-[(4-fluorophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: 4-[[5-chloro-3-[(4-fluorobenzyl)carbamoyl]-2-thienyl]carbamoyl]cyclohexanecarboxylic acid methyl ester Formula: C21H22ClFN2O4S MolecularWeight: 452.926783

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)C(=O)NC2=C(C=C(S2)Cl)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1CCC(CC1)C(=O)NC2=C(C=C(S2)Cl)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22ClFN2O4S/c1-29-21(28)14-6-4-13(5-7-14)18(26)25-20-16(10-17(22)30-20)19(27)24-11-12-2-8-15(23)9-3-12/h2-3,8-10,13-14H,4-7,11H2,1H3,(H,24,27)(H,25,26)