(3-azanyl-3-oxidanylidene-propyl) 4-methylsulfanylbenzoate

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl) 4-methylsulfanylbenzoate Openeye Name: (3-amino-3-oxo-propyl) 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid (3-amino-3-oxopropyl) ester IUPAC Name: (3-amino-3-oxopropyl) 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid (3-amino-3-keto-propyl) ester Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)OCCC(=O)N

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)OCCC(=O)N

InChI

InChI=1S/C11H13NO3S/c1-16-9-4-2-8(3-5-9)11(14)15-7-6-10(12)13/h2-5H,6-7H2,1H3,(H2,12,13)