[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CSC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C20H21NO4S/c1-2-6-19(23)21-16-11-9-15(10-12-16)18(22)13-25-20(24)14-26-17-7-4-3-5-8-17/h3-5,7-12H,2,6,13-14H2,1H3,(H,21,23)