3-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]methyl]-5-chloranyl-1,3-benzoxazol-2-one

Systemtic Name: 3-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]methyl]-5-chloranyl-1,3-benzoxazol-2-one Openeye Name: 3-[[butyl-(1,1-dioxothiolan-3-yl)amino]methyl]-5-chloro-1,3-benzoxazol-2-one CAS Name: 3-[[butyl-(1,1-dioxo-3-thiolanyl)amino]methyl]-5-chloro-1,3-benzoxazol-2-one IUPAC Name: 3-[[butyl-(1,1-dioxothiolan-3-yl)amino]methyl]-5-chloro-1,3-benzoxazol-2-one Traditional Name: 3-[[butyl-(1,1-diketothiolan-3-yl)amino]methyl]-5-chloro-1,3-benzoxazol-2-one Formula: C16H21ClN2O4S MolecularWeight: 372.86694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CN1C2=C(C=CC(=C2)Cl)OC1=O)C3CCS(=O)(=O)C3

Isomeric SMILES

CCCCN(CN1C2=C(C=CC(=C2)Cl)OC1=O)C3CCS(=O)(=O)C3

InChI

InChI=1S/C16H21ClN2O4S/c1-2-3-7-18(13-6-8-24(21,22)10-13)11-19-14-9-12(17)4-5-15(14)23-16(19)20/h4-5,9,13H,2-3,6-8,10-11H2,1H3