S-[2-(methylamino)-2-oxidanylidene-ethyl] 4-ethylbenzenecarbothioate

Systemtic Name: S-[2-(methylamino)-2-oxidanylidene-ethyl] 4-ethylbenzenecarbothioate Openeye Name: S-[2-(methylamino)-2-oxo-ethyl] 4-ethylbenzenecarbothioate CAS Name: 4-ethylbenzenecarbothioic acid S-[2-(methylamino)-2-oxoethyl] ester IUPAC Name: S-[2-(methylamino)-2-oxoethyl] 4-ethylbenzenecarbothioate Traditional Name: 4-ethylthiobenzoic acid S-[2-keto-2-(methylamino)ethyl] ester Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)SCC(=O)NC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)SCC(=O)NC

InChI

InChI=1S/C12H15NO2S/c1-3-9-4-6-10(7-5-9)12(15)16-8-11(14)13-2/h4-7H,3,8H2,1-2H3,(H,13,14)