[4-(4-azanyl-4-oxidanylidene-butyl)sulfanylphenyl] ethanoate

Systemtic Name: [4-(4-azanyl-4-oxidanylidene-butyl)sulfanylphenyl] ethanoate Openeye Name: [4-(4-amino-4-oxo-butyl)sulfanylphenyl] acetate CAS Name: acetic acid [4-[(4-amino-4-oxobutyl)thio]phenyl] ester IUPAC Name: [4-(4-amino-4-oxobutyl)sulfanylphenyl] acetate Traditional Name: acetic acid [4-[(4-amino-4-keto-butyl)thio]phenyl] ester Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)SCCCC(=O)N

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)SCCCC(=O)N

InChI

InChI=1S/C12H15NO3S/c1-9(14)16-10-4-6-11(7-5-10)17-8-2-3-12(13)15/h4-7H,2-3,8H2,1H3,(H2,13,15)