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

Systemtic Name: 2-dimethylaminoethyl 4-(benzenecarbonothioylsulfanyl)-4-cyano-pentanoate Openeye Name: 2-dimethylaminoethyl 4-(benzenecarbonothioylsulfanyl)-4-cyano-pentanoate CAS Name: 4-(benzenecarbonothioylthio)-4-cyanopentanoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoate Traditional Name: 4-(benzenecarbonothioylthio)-4-cyano-valeric acid 2-dimethylaminoethyl ester Formula: C17H22N2O2S2 MolecularWeight: 350.49878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O2S2/c1-17(13-18,10-9-15(20)21-12-11-19(2)3)23-16(22)14-7-5-4-6-8-14/h4-8H,9-12H2,1-3H3