ethyl 3-oxidanylidene-4-[4-(pentanoylamino)phenyl]sulfanyl-butanoate

Systemtic Name: ethyl 3-oxidanylidene-4-[4-(pentanoylamino)phenyl]sulfanyl-butanoate Openeye Name: ethyl 3-oxo-4-[4-(pentanoylamino)phenyl]sulfanyl-butanoate CAS Name: 3-oxo-4-[[4-(1-oxopentylamino)phenyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-4-[4-(pentanoylamino)phenyl]sulfanylbutanoate Traditional Name: 3-keto-4-[[4-(valerylamino)phenyl]thio]butyric acid ethyl ester Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)SCC(=O)CC(=O)OCC

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)SCC(=O)CC(=O)OCC

InChI

InChI=1S/C17H23NO4S/c1-3-5-6-16(20)18-13-7-9-15(10-8-13)23-12-14(19)11-17(21)22-4-2/h7-10H,3-6,11-12H2,1-2H3,(H,18,20)