methyl 2-(hexanoylamino)sulfanylbenzoate

Systemtic Name: methyl 2-(hexanoylamino)sulfanylbenzoate Openeye Name: methyl 2-(hexanoylamino)sulfanylbenzoate CAS Name: 2-[(1-oxohexylamino)thio]benzoic acid methyl ester IUPAC Name: methyl 2-(hexanoylamino)sulfanylbenzoate Traditional Name: 2-[(caproylamino)thio]benzoic acid methyl ester Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NSC1=CC=CC=C1C(=O)OC

Isomeric SMILES

CCCCCC(=O)NSC1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C14H19NO3S/c1-3-4-5-10-13(16)15-19-12-9-7-6-8-11(12)14(17)18-2/h6-9H,3-5,10H2,1-2H3,(H,15,16)