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

Systemtic Name: 2-methoxyethyl 4-(benzenecarbonothioylsulfanyl)-4-cyano-pentanoate Openeye Name: 2-methoxyethyl 4-(benzenecarbonothioylsulfanyl)-4-cyano-pentanoate CAS Name: 4-(benzenecarbonothioylthio)-4-cyanopentanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoate Traditional Name: 4-(benzenecarbonothioylthio)-4-cyano-valeric acid 2-methoxyethyl ester Formula: C16H19NO3S2 MolecularWeight: 337.45696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO3S2/c1-16(12-17,9-8-14(18)20-11-10-19-2)22-15(21)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3