2-(1-adamantylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylic acid

Systemtic Name: 2-(1-adamantylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylic acid Openeye Name: 2-(adamantane-1-carbonylamino)-4,5-dimethyl-thiophene-3-carboxylic acid CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid IUPAC Name: 2-(adamantane-1-carbonylamino)-4,5-dimethylthiophene-3-carboxylic acid Traditional Name: 2-(adamantane-1-carbonylamino)-4,5-dimethyl-3-thenoic acid Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)NC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)NC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C18H23NO3S/c1-9-10(2)23-15(14(9)16(20)21)19-17(22)18-6-11-3-12(7-18)5-13(4-11)8-18/h11-13H,3-8H2,1-2H3,(H,19,22)(H,20,21)