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

Systemtic Name: naphthalen-1-ylmethyl 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]ethanoate Openeye Name: 1-naphthylmethyl 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 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 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 1-naphthylmethyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC1=CC=CC2=CC=CC=C21)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CN(CC(=O)OCC1=CC=CC2=CC=CC=C21)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H18N2O4S/c1-23(21-18-11-4-5-12-19(18)28(25,26)22-21)13-20(24)27-14-16-9-6-8-15-7-2-3-10-17(15)16/h2-12H,13-14H2,1H3