ethyl 3-oxidanylidene-4-[4-(2-phenoxyethanoylamino)phenyl]sulfanyl-butanoate

Systemtic Name: ethyl 3-oxidanylidene-4-[4-(2-phenoxyethanoylamino)phenyl]sulfanyl-butanoate Openeye Name: ethyl 3-oxo-4-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-butanoate CAS Name: 3-oxo-4-[[4-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-4-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylbutanoate Traditional Name: 3-keto-4-[[4-[(2-phenoxyacetyl)amino]phenyl]thio]butyric acid ethyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C20H21NO5S/c1-2-25-20(24)12-16(22)14-27-18-10-8-15(9-11-18)21-19(23)13-26-17-6-4-3-5-7-17/h3-11H,2,12-14H2,1H3,(H,21,23)