2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoic acid Formula: C19H23NO3S MolecularWeight: 345.45582

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C19H23NO3S/c21-17(11-24-16-4-2-1-3-15(16)18(22)23)20-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,20,21)(H,22,23)