2-[2-[[(1S)-1-[(1S,3S,4R)-3-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[[(1S)-1-[(1S,3S,4R)-3-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[[(1S)-1-[(1R,2S,4S)-norbornan-2-yl]ethyl]amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[[(1S)-1-[(1S,3S,4R)-3-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[[(1S)-1-[(1S,3S,4R)-3-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-[[(1S)-1-[(1R,2S,4S)-norbornan-2-yl]ethyl]amino]ethyl]thio]benzoic acid Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC2CCC1C2)NC(=O)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C[C@@H]([C@H]1C[C@H]2CC[C@@H]1C2)NC(=O)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H23NO3S/c1-11(15-9-12-6-7-13(15)8-12)19-17(20)10-23-16-5-3-2-4-14(16)18(21)22/h2-5,11-13,15H,6-10H2,1H3,(H,19,20)(H,21,22)/t11-,12-,13+,15+/m0/s1