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

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbutanedioic acid Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbutanedioic acid CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]butanedioic acid IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbutanedioic acid Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]succinic acid Formula: C16H23NO5S MolecularWeight: 341.42252

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC(CC(=O)O)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC(CC(=O)O)C(=O)O

InChI

InChI=1S/C16H23NO5S/c18-13(8-23-12(15(21)22)4-14(19)20)17-16-5-9-1-10(6-16)3-11(2-9)7-16/h9-12H,1-8H2,(H,17,18)(H,19,20)(H,21,22)