(4-propanoylphenyl) 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: (4-propanoylphenyl) 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: (4-propanoylphenyl) 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid (4-propionylphenyl) ester Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO5S/c1-2-16(19)12-3-7-14(8-4-12)23-17(20)11-24-15-9-5-13(6-10-15)18(21)22/h3-10H,2,11H2,1H3