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

Systemtic Name: ethyl 4-[4-(butanoylamino)phenyl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-(butanoylamino)phenyl]sulfanyl-3-oxo-butanoate CAS Name: 3-oxo-4-[[4-(1-oxobutylamino)phenyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(butanoylamino)phenyl]sulfanyl-3-oxobutanoate Traditional Name: 4-[(4-butyramidophenyl)thio]-3-keto-butyric acid ethyl ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4S/c1-3-5-15(19)17-12-6-8-14(9-7-12)22-11-13(18)10-16(20)21-4-2/h6-9H,3-5,10-11H2,1-2H3,(H,17,19)