(4-aminocarbonylphenyl)sulfanyl pentanoate

Systemtic Name: (4-aminocarbonylphenyl)sulfanyl pentanoate Openeye Name: (4-carbamoylphenyl)sulfanyl pentanoate CAS Name: pentanoic acid [(4-carbamoylphenyl)thio] ester IUPAC Name: (4-carbamoylphenyl)sulfanyl pentanoate Traditional Name: valeric acid [(4-carbamoylphenyl)thio] ester Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OSC1=CC=C(C=C1)C(=O)N

Isomeric SMILES

CCCCC(=O)OSC1=CC=C(C=C1)C(=O)N

InChI

InChI=1S/C12H15NO3S/c1-2-3-4-11(14)16-17-10-7-5-9(6-8-10)12(13)15/h5-8H,2-4H2,1H3,(H2,13,15)