5-(1-adamantylcarbonylamino)-3-methyl-thiophene-2-carboxylic acid

Systemtic Name: 5-(1-adamantylcarbonylamino)-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-(adamantane-1-carbonylamino)-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[[1-adamantyl(oxo)methyl]amino]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-(adamantane-1-carbonylamino)-3-methylthiophene-2-carboxylic acid Traditional Name: 5-(adamantane-1-carbonylamino)-3-methyl-2-thenoic acid Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)O

InChI

InChI=1S/C17H21NO3S/c1-9-2-13(22-14(9)15(19)20)18-16(21)17-6-10-3-11(7-17)5-12(4-10)8-17/h2,10-12H,3-8H2,1H3,(H,18,21)(H,19,20)