S-[4-(4-aminophenyl)butyl] ethanethioate; S-ethanoyl ethanethioate

Systemtic Name: S-[4-(4-aminophenyl)butyl] ethanethioate; S-ethanoyl ethanethioate Openeye Name: S-acetyl ethanethioate; S-[4-(4-aminophenyl)butyl] ethanethioate CAS Name: ethanethioic acid S-acetyl ester; ethanethioic acid S-[4-(4-aminophenyl)butyl] ester IUPAC Name: S-acetyl ethanethioate; S-[4-(4-aminophenyl)butyl] ethanethioate Traditional Name: ethanethioic acid S-acetyl ester; ethanethioic acid S-[4-(4-aminophenyl)butyl] ester Formula: C16H23NO3S2 MolecularWeight: 341.48872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCC1=CC=C(C=C1)N.CC(=O)SC(=O)C

Isomeric SMILES

CC(=O)SCCCCC1=CC=C(C=C1)N.CC(=O)SC(=O)C

InChI

InChI=1S/C12H17NOS.C4H6O2S/c1-10(14)15-9-3-2-4-11-5-7-12(13)8-6-11;1-3(5)7-4(2)6/h5-8H,2-4,9,13H2,1H3;1-2H3