S-[4-oxidanylidene-4-[(phenylmethyl)amino]butyl] ethanethioate

Systemtic Name: S-[4-oxidanylidene-4-[(phenylmethyl)amino]butyl] ethanethioate Openeye Name: S-[4-(benzylamino)-4-oxo-butyl] ethanethioate CAS Name: ethanethioic acid S-[4-oxo-4-[(phenylmethyl)amino]butyl] ester IUPAC Name: S-[4-(benzylamino)-4-oxobutyl] ethanethioate Traditional Name: ethanethioic acid S-[4-(benzylamino)-4-keto-butyl] ester Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCC(=O)NCC1=CC=CC=C1

Isomeric SMILES

CC(=O)SCCCC(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C13H17NO2S/c1-11(15)17-9-5-8-13(16)14-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3,(H,14,16)