ethyl 2-(4-nitrophenyl)sulfanyl-3-oxidanylidene-3-phenyl-propanoate

Systemtic Name: ethyl 2-(4-nitrophenyl)sulfanyl-3-oxidanylidene-3-phenyl-propanoate Openeye Name: ethyl 2-(4-nitrophenyl)sulfanyl-3-oxo-3-phenyl-propanoate CAS Name: 2-[(4-nitrophenyl)thio]-3-oxo-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-(4-nitrophenyl)sulfanyl-3-oxo-3-phenylpropanoate Traditional Name: 3-keto-2-[(4-nitrophenyl)thio]-3-phenyl-propionic acid ethyl ester Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C1=CC=CC=C1)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C(=O)C1=CC=CC=C1)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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