2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]ethyl 4-chloranylbenzoate

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]ethyl 4-chloranylbenzoate Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]ethyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethyl ester IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 2-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]ethyl ester Formula: C17H15ClN2O4S MolecularWeight: 378.83

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC(=O)C1=CC=C(C=C1)Cl)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CN(CCOC(=O)C1=CC=C(C=C1)Cl)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H15ClN2O4S/c1-20(10-11-24-17(21)12-6-8-13(18)9-7-12)16-14-4-2-3-5-15(14)25(22,23)19-16/h2-9H,10-11H2,1H3