4-[[5-chloranyl-3-[(phenylmethyl)carbamoyl]thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[5-chloranyl-3-[(phenylmethyl)carbamoyl]thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[3-(benzylcarbamoyl)-5-chloro-2-thienyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 4-[[[5-chloro-3-[oxo-[(phenylmethyl)amino]methyl]-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[3-(benzylcarbamoyl)-5-chlorothiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[3-(benzylcarbamoyl)-5-chloro-2-thienyl]carbamoyl]cyclohexanecarboxylic acid Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)NC2=C(C=C(S2)Cl)C(=O)NCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(CCC1C(=O)NC2=C(C=C(S2)Cl)C(=O)NCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H21ClN2O4S/c21-16-10-15(18(25)22-11-12-4-2-1-3-5-12)19(28-16)23-17(24)13-6-8-14(9-7-13)20(26)27/h1-5,10,13-14H,6-9,11H2,(H,22,25)(H,23,24)(H,26,27)