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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]ethanoate Openeye Name: (2-anilino-2-oxo-ethyl) 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]acetate CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetate Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]acetic acid (2-anilino-2-keto-ethyl) ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC(=O)NC1=CC=CC=C1)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CN(CC(=O)OCC(=O)NC1=CC=CC=C1)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H17N3O5S/c1-21(18-14-9-5-6-10-15(14)27(24,25)20-18)11-17(23)26-12-16(22)19-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,22)