S-(3-chloranyl-2,2,6-trimethyl-4-oxidanylidene-thiochromen-3-yl)sulfanyl ethanethioate

Systemtic Name: S-(3-chloranyl-2,2,6-trimethyl-4-oxidanylidene-thiochromen-3-yl)sulfanyl ethanethioate Openeye Name: S-(3-chloro-2,2,6-trimethyl-4-oxo-thiochroman-3-yl)sulfanyl ethanethioate CAS Name: ethanethioic acid S-[(3-chloro-2,2,6-trimethyl-4-oxo-1-benzothiopyran-3-yl)thio] ester IUPAC Name: S-(3-chloro-2,2,6-trimethyl-4-oxothiochromen-3-yl)sulfanyl ethanethioate Traditional Name: ethanethioic acid S-[(3-chloro-4-keto-2,2,6-trimethyl-thiochroman-3-yl)thio] ester Formula: C14H15ClO2S3 MolecularWeight: 346.9157

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(C(C2=O)(SSC(=O)C)Cl)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)SC(C(C2=O)(SSC(=O)C)Cl)(C)C

InChI

InChI=1S/C14H15ClO2S3/c1-8-5-6-11-10(7-8)12(17)14(15,13(3,4)18-11)20-19-9(2)16/h5-7H,1-4H3