1-(4-thiophen-2-ylbutanoylamino)cycloheptane-1-carboxylic acid

Systemtic Name: 1-(4-thiophen-2-ylbutanoylamino)cycloheptane-1-carboxylic acid Openeye Name: 1-[4-(2-thienyl)butanoylamino]cycloheptanecarboxylic acid CAS Name: 1-[(1-oxo-4-thiophen-2-ylbutyl)amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-(4-thiophen-2-ylbutanoylamino)cycloheptane-1-carboxylic acid Traditional Name: 1-[4-(2-thienyl)butanoylamino]cycloheptanecarboxylic acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C(=O)O)NC(=O)CCCC2=CC=CS2

Isomeric SMILES

C1CCCC(CC1)(C(=O)O)NC(=O)CCCC2=CC=CS2

InChI

InChI=1S/C16H23NO3S/c18-14(9-5-7-13-8-6-12-21-13)17-16(15(19)20)10-3-1-2-4-11-16/h6,8,12H,1-5,7,9-11H2,(H,17,18)(H,19,20)