4-[(2-methyl-2-thiophen-2-yl-propanoyl)amino]adamantane-1-carboxylic acid

Systemtic Name: 4-[(2-methyl-2-thiophen-2-yl-propanoyl)amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-methyl-2-(2-thienyl)propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[(2-methyl-1-oxo-2-thiophen-2-ylpropyl)amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-methyl-2-(2-thienyl)propanoyl]amino]adamantane-1-carboxylic acid Formula: C19H25NO3S MolecularWeight: 347.4717

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CS1)C(=O)NC2C3CC4CC2CC(C4)(C3)C(=O)O

Isomeric SMILES

CC(C)(C1=CC=CS1)C(=O)NC2C3CC4CC2CC(C4)(C3)C(=O)O

InChI

InChI=1S/C19H25NO3S/c1-18(2,14-4-3-5-24-14)16(21)20-15-12-6-11-7-13(15)10-19(8-11,9-12)17(22)23/h3-5,11-13,15H,6-10H2,1-2H3,(H,20,21)(H,22,23)