pentyl 4-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]ethanoylamino]benzoate

Systemtic Name: pentyl 4-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]ethanoylamino]benzoate Openeye Name: pentyl 4-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3S)-1,1-dioxo-3-thiolanyl]-1-oxoethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(3S)-1,1-diketothiolan-3-yl]acetyl]amino]benzoic acid amyl ester Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2CCS(=O)(=O)C2

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C18H25NO5S/c1-2-3-4-10-24-18(21)15-5-7-16(8-6-15)19-17(20)12-14-9-11-25(22,23)13-14/h5-8,14H,2-4,9-13H2,1H3,(H,19,20)/t14-/m1/s1