ethyl 4-[[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-pentanoyl-amino]benzoate

Systemtic Name: ethyl 4-[[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-pentanoyl-amino]benzoate Openeye Name: ethyl 4-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)-pentanoyl-amino]benzoate CAS Name: 4-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)-(1-oxopentyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)-pentanoylamino]benzoate Traditional Name: 4-[(1,1-diketo-2,3-dihydrothiophen-3-yl)-valeryl-amino]benzoic acid ethyl ester Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(C1CS(=O)(=O)C=C1)C2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCC(=O)N(C1CS(=O)(=O)C=C1)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C18H23NO5S/c1-3-5-6-17(20)19(16-11-12-25(22,23)13-16)15-9-7-14(8-10-15)18(21)24-4-2/h7-12,16H,3-6,13H2,1-2H3