2-diethylaminoethyl 4-(benzenecarbonothioylsulfanyl)-4-cyano-pentanoate

Systemtic Name: 2-diethylaminoethyl 4-(benzenecarbonothioylsulfanyl)-4-cyano-pentanoate Openeye Name: 2-diethylaminoethyl 4-(benzenecarbonothioylsulfanyl)-4-cyano-pentanoate CAS Name: 4-(benzenecarbonothioylthio)-4-cyanopentanoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoate Traditional Name: 4-(benzenecarbonothioylthio)-4-cyano-valeric acid 2-diethylaminoethyl ester Formula: C19H26N2O2S2 MolecularWeight: 378.55194

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)CCC(C)(C#N)SC(=S)C1=CC=CC=C1

Isomeric SMILES

CCN(CC)CCOC(=O)CCC(C)(C#N)SC(=S)C1=CC=CC=C1

InChI

InChI=1S/C19H26N2O2S2/c1-4-21(5-2)13-14-23-17(22)11-12-19(3,15-20)25-18(24)16-9-7-6-8-10-16/h6-10H,4-5,11-14H2,1-3H3