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

Systemtic Name: methyl 4-[[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-pentanoyl-amino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H21NO5S MolecularWeight: 351.41734

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5S/c1-3-4-5-16(19)18(15-10-11-24(21,22)12-15)14-8-6-13(7-9-14)17(20)23-2/h6-11,15H,3-5,12H2,1-2H3