ethyl N-[4-chloranyl-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-ethoxycarbonyl-carbamate

Systemtic Name: ethyl N-[4-chloranyl-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-ethoxycarbonyl-carbamate Openeye Name: ethyl N-(4-chloro-1,1-dioxo-1,2-benzothiazol-3-yl)-N-ethoxycarbonyl-carbamate CAS Name: N-(4-chloro-1,1-dioxo-1,2-benzothiazol-3-yl)-N-ethoxycarbonylcarbamic acid ethyl ester IUPAC Name: ethyl N-(4-chloro-1,1-dioxo-1,2-benzothiazol-3-yl)-N-ethoxycarbonylcarbamate Traditional Name: N-carbethoxy-N-(4-chloro-1,1-diketo-1,2-benzothiazol-3-yl)carbamic acid ethyl ester Formula: C13H13ClN2O6S MolecularWeight: 360.77012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C1=NS(=O)(=O)C2=C1C(=CC=C2)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)N(C1=NS(=O)(=O)C2=C1C(=CC=C2)Cl)C(=O)OCC

InChI

InChI=1S/C13H13ClN2O6S/c1-3-21-12(17)16(13(18)22-4-2)11-10-8(14)6-5-7-9(10)23(19,20)15-11/h5-7H,3-4H2,1-2H3