cyclohexylmethyl 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate

Systemtic Name: cyclohexylmethyl 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate Openeye Name: cyclohexylmethyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propionic acid cyclohexylmethyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1CCCCC1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C(=O)OCC1CCCCC1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H22N2O4S/c1-12(17(20)23-11-13-7-3-2-4-8-13)18-16-14-9-5-6-10-15(14)24(21,22)19-16/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,18,19)