3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]thiophene-2-carboxylic acid Openeye Name: 3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]thiophene-2-carboxylic acid CAS Name: 3-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]thiophene-2-carboxylic acid Traditional Name: 3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-2-thenoic acid Formula: C23H24ClNO3S MolecularWeight: 429.95956

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)C5=C(SC=C5)C(=O)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)C5=C(SC=C5)C(=O)O)Cl

InChI

InChI=1S/C23H24ClNO3S/c24-19-2-1-16(17-3-4-29-20(17)22(27)28)8-18(19)21(26)25-12-23-9-13-5-14(10-23)7-15(6-13)11-23/h1-4,8,13-15H,5-7,9-12H2,(H,25,26)(H,27,28)