4-[[2-(1-benzothiophen-3-yl)-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid

Systemtic Name: 4-[[2-(1-benzothiophen-3-yl)-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-(benzothiophen-3-yl)-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-(1-benzothiophen-3-yl)-2-methyl-1-oxopropyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-(1-benzothiophen-3-yl)-2-methylpropanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-(benzothiophen-3-yl)-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid Formula: C23H27NO3S MolecularWeight: 397.53038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CSC2=CC=CC=C21)C(=O)NC3C4CC5CC3CC(C5)(C4)C(=O)O

Isomeric SMILES

CC(C)(C1=CSC2=CC=CC=C21)C(=O)NC3C4CC5CC3CC(C5)(C4)C(=O)O

InChI

InChI=1S/C23H27NO3S/c1-22(2,17-12-28-18-6-4-3-5-16(17)18)20(25)24-19-14-7-13-8-15(19)11-23(9-13,10-14)21(26)27/h3-6,12-15,19H,7-11H2,1-2H3,(H,24,25)(H,26,27)