S-(7-oxidanylidene-7-phenylazanyl-heptyl) ethanethioate

Systemtic Name: S-(7-oxidanylidene-7-phenylazanyl-heptyl) ethanethioate Openeye Name: S-(7-anilino-7-oxo-heptyl) ethanethioate CAS Name: ethanethioic acid S-(7-anilino-7-oxoheptyl) ester IUPAC Name: S-(7-anilino-7-oxoheptyl) ethanethioate Traditional Name: ethanethioic acid S-(7-anilino-7-keto-heptyl) ester Formula: C15H21NO2S MolecularWeight: 279.39774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCCCC(=O)NC1=CC=CC=C1

Isomeric SMILES

CC(=O)SCCCCCCC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C15H21NO2S/c1-13(17)19-12-8-3-2-7-11-15(18)16-14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,16,18)