1-(2-phenylsulfanylethanoylamino)cycloheptane-1-carboxylic acid

Systemtic Name: 1-(2-phenylsulfanylethanoylamino)cycloheptane-1-carboxylic acid Openeye Name: 1-[(2-phenylsulfanylacetyl)amino]cycloheptanecarboxylic acid CAS Name: 1-[[1-oxo-2-(phenylthio)ethyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[(2-phenylsulfanylacetyl)amino]cycloheptane-1-carboxylic acid Traditional Name: 1-[[2-(phenylthio)acetyl]amino]cycloheptanecarboxylic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C(=O)O)NC(=O)CSC2=CC=CC=C2

Isomeric SMILES

C1CCCC(CC1)(C(=O)O)NC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C16H21NO3S/c18-14(12-21-13-8-4-3-5-9-13)17-16(15(19)20)10-6-1-2-7-11-16/h3-5,8-9H,1-2,6-7,10-12H2,(H,17,18)(H,19,20)