ethyl 2-[1,3-benzothiazol-5-yl-[1,1-bis(oxidanylidene)thian-4-yl]carbonyl-amino]ethanoate

Systemtic Name: ethyl 2-[1,3-benzothiazol-5-yl-[1,1-bis(oxidanylidene)thian-4-yl]carbonyl-amino]ethanoate Openeye Name: ethyl 2-[1,3-benzothiazol-5-yl-(1,1-dioxothiane-4-carbonyl)amino]acetate CAS Name: 2-[1,3-benzothiazol-5-yl-[(1,1-dioxo-4-thianyl)-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[1,3-benzothiazol-5-yl-(1,1-dioxothiane-4-carbonyl)amino]acetate Traditional Name: 2-[1,3-benzothiazol-5-yl-(1,1-diketothiane-4-carbonyl)amino]acetic acid ethyl ester Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)SC=N2)C(=O)C3CCS(=O)(=O)CC3

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)SC=N2)C(=O)C3CCS(=O)(=O)CC3

InChI

InChI=1S/C17H20N2O5S2/c1-2-24-16(20)10-19(13-3-4-15-14(9-13)18-11-25-15)17(21)12-5-7-26(22,23)8-6-12/h3-4,9,11-12H,2,5-8,10H2,1H3