S-[2-methyl-3-oxidanylidene-3-[(phenylmethyl)amino]propyl] ethanethioate

Systemtic Name: S-[2-methyl-3-oxidanylidene-3-[(phenylmethyl)amino]propyl] ethanethioate Openeye Name: S-[3-(benzylamino)-2-methyl-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[2-methyl-3-oxo-3-[(phenylmethyl)amino]propyl] ester IUPAC Name: S-[3-(benzylamino)-2-methyl-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-(benzylamino)-3-keto-2-methyl-propyl] ester Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)NCC1=CC=CC=C1

Isomeric SMILES

CC(CSC(=O)C)C(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C13H17NO2S/c1-10(9-17-11(2)15)13(16)14-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,16)