S-(7-oxidanylidene-7-phenylazanyl-heptyl) 2-methylpropanethioate

Systemtic Name: S-(7-oxidanylidene-7-phenylazanyl-heptyl) 2-methylpropanethioate Openeye Name: S-(7-anilino-7-oxo-heptyl) 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-(7-anilino-7-oxoheptyl) ester IUPAC Name: S-(7-anilino-7-oxoheptyl) 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-(7-anilino-7-keto-heptyl) ester Formula: C17H25NO2S MolecularWeight: 307.4509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO2S/c1-14(2)17(20)21-13-9-4-3-8-12-16(19)18-15-10-6-5-7-11-15/h5-7,10-11,14H,3-4,8-9,12-13H2,1-2H3,(H,18,19)