S-[2-[2-(2-cyanoethoxy)ethylamino]ethyl] ethanethioate; 4-methylbenzenesulfonic acid

Systemtic Name: S-[2-[2-(2-cyanoethoxy)ethylamino]ethyl] ethanethioate; 4-methylbenzenesulfonic acid Openeye Name: S-[2-[2-(2-cyanoethoxy)ethylamino]ethyl] ethanethioate; 4-methylbenzenesulfonic acid CAS Name: ethanethioic acid S-[2-[2-(2-cyanoethoxy)ethylamino]ethyl] ester; 4-methylbenzenesulfonic acid IUPAC Name: S-[2-[2-(2-cyanoethoxy)ethylamino]ethyl] ethanethioate; 4-methylbenzenesulfonic acid Traditional Name: ethanethioic acid S-[2-[2-(2-cyanoethoxy)ethylamino]ethyl] ester; tosylic acid Formula: C16H24N2O5S2 MolecularWeight: 388.50216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)SCCNCCOCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)SCCNCCOCCC#N

InChI

InChI=1S/C9H16N2O2S.C7H8O3S/c1-9(12)14-8-5-11-4-7-13-6-2-3-10;1-6-2-4-7(5-3-6)11(8,9)10/h11H,2,4-8H2,1H3;2-5H,1H3,(H,8,9,10)