[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-propyl-amino]-2-oxidanylidene-ethyl] 2-azanyl-5-iodanyl-benzoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-propyl-amino]-2-oxidanylidene-ethyl] 2-azanyl-5-iodanyl-benzoate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-propyl-amino]-2-oxo-ethyl] 2-amino-5-iodo-benzoate CAS Name: 2-amino-5-iodobenzoic acid [2-[(1,1-dioxo-3-thiolanyl)-propylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)-propylamino]-2-oxoethyl] 2-amino-5-iodobenzoate Traditional Name: 2-amino-5-iodo-benzoic acid [2-[(1,1-diketothiolan-3-yl)-propyl-amino]-2-keto-ethyl] ester Formula: C16H21IN2O5S MolecularWeight: 480.31781

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C=CC(=C2)I)N

Isomeric SMILES

CCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C=CC(=C2)I)N

InChI

InChI=1S/C16H21IN2O5S/c1-2-6-19(12-5-7-25(22,23)10-12)15(20)9-24-16(21)13-8-11(17)3-4-14(13)18/h3-4,8,12H,2,5-7,9-10,18H2,1H3