methyl 2-(pentanoylamino)sulfanylbenzoate

Systemtic Name: methyl 2-(pentanoylamino)sulfanylbenzoate Openeye Name: methyl 2-(pentanoylamino)sulfanylbenzoate CAS Name: 2-[(1-oxopentylamino)thio]benzoic acid methyl ester IUPAC Name: methyl 2-(pentanoylamino)sulfanylbenzoate Traditional Name: 2-[(valerylamino)thio]benzoic acid methyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-3-4-9-12(15)14-18-11-8-6-5-7-10(11)13(16)17-2/h5-8H,3-4,9H2,1-2H3,(H,14,15)