2-chloranylprop-2-enyl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate

Systemtic Name: 2-chloranylprop-2-enyl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate Openeye Name: 2-chloroallyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-piperidinecarboxylic acid 2-chloroprop-2-enyl ester IUPAC Name: 2-chloroprop-2-enyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)nipecotic acid 2-chloroallyl ester Formula: C16H17ClN2O4S MolecularWeight: 368.83518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(COC(=O)C1CCCN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)Cl

Isomeric SMILES

C=C(COC(=O)C1CCCN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)Cl

InChI

InChI=1S/C16H17ClN2O4S/c1-11(17)10-23-16(20)12-5-4-8-19(9-12)15-13-6-2-3-7-14(13)24(21,22)18-15/h2-3,6-7,12H,1,4-5,8-10H2