ethyl 4-[3-(4-aminocarbonylphenyl)-3-phenylsulfanyl-propanoyl]benzoate

Systemtic Name: ethyl 4-[3-(4-aminocarbonylphenyl)-3-phenylsulfanyl-propanoyl]benzoate Openeye Name: ethyl 4-[3-(4-carbamoylphenyl)-3-phenylsulfanyl-propanoyl]benzoate CAS Name: 4-[3-(4-carbamoylphenyl)-1-oxo-3-(phenylthio)propyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-carbamoylphenyl)-3-phenylsulfanylpropanoyl]benzoate Traditional Name: 4-[3-(4-carbamoylphenyl)-3-(phenylthio)propanoyl]benzoic acid ethyl ester Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)C(=O)N)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)C(=O)N)SC3=CC=CC=C3

InChI

InChI=1S/C25H23NO4S/c1-2-30-25(29)20-14-8-17(9-15-20)22(27)16-23(31-21-6-4-3-5-7-21)18-10-12-19(13-11-18)24(26)28/h3-15,23H,2,16H2,1H3,(H2,26,28)