2-[1-(1-adamantyl)-2-azanyl-2-oxidanylidene-ethyl]sulfanylbenzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(C(=O)N)SC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(C(=O)N)SC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C19H23NO3S/c20-17(21)16(24-15-4-2-1-3-14(15)18(22)23)19-8-11-5-12(9-19)7-13(6-11)10-19/h1-4,11-13,16H,5-10H2,(H2,20,21)(H,22,23)