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phenacyl 5-oxidanylidene-5-[(4-phenylsulfanylphenyl)amino]pentanoate

Systemtic Name:	phenacyl 5-oxidanylidene-5-[(4-phenylsulfanylphenyl)amino]pentanoate
Openeye Name:	phenacyl 5-oxo-5-(4-phenylsulfanylanilino)pentanoate
CAS Name:	5-oxo-5-[4-(phenylthio)anilino]pentanoic acid phenacyl ester
IUPAC Name:	phenacyl 5-oxo-5-(4-phenylsulfanylanilino)pentanoate
Traditional Name:	5-keto-5-[4-(phenylthio)anilino]valeric acid phenacyl ester
Formula:	C₂₅H₂₃NO₄S
MolecularWeight:	433.51942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C25H23NO4S/c27-23(19-8-3-1-4-9-19)18-30-25(29)13-7-12-24(28)26-20-14-16-22(17-15-20)31-21-10-5-2-6-11-21/h1-6,8-11,14-17H,7,12-13,18H2,(H,26,28)

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