O-ethyl [5-chloranyl-4-oxidanylidene-1-(phenylsulfonyl)pentyl]sulfanylmethanethioate

Systemtic Name: O-ethyl [5-chloranyl-4-oxidanylidene-1-(phenylsulfonyl)pentyl]sulfanylmethanethioate Openeye Name: O-ethyl [1-(benzenesulfonyl)-5-chloro-4-oxo-pentyl]sulfanylmethanethioate CAS Name: [[1-(benzenesulfonyl)-5-chloro-4-oxopentyl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [1-(benzenesulfonyl)-5-chloro-4-oxopentyl]sulfanylmethanethioate Traditional Name: [(1-besyl-5-chloro-4-keto-pentyl)thio]methanethioic acid O-ethyl ester Formula: C14H17ClO4S3 MolecularWeight: 380.93038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CCC(=O)CCl)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCOC(=S)SC(CCC(=O)CCl)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H17ClO4S3/c1-2-19-14(20)21-13(9-8-11(16)10-15)22(17,18)12-6-4-3-5-7-12/h3-7,13H,2,8-10H2,1H3