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

Systemtic Name: (7-methoxynaphthalen-2-yl) 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate Openeye Name: (7-methoxy-2-naphthyl) 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid (7-methoxy-2-naphthalenyl) ester IUPAC Name: (7-methoxynaphthalen-2-yl) 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propionic acid (7-methoxy-2-naphthyl) ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2)OC(=O)CCNC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2)OC(=O)CCNC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H18N2O5S/c1-27-16-8-6-14-7-9-17(13-15(14)12-16)28-20(24)10-11-22-21-18-4-2-3-5-19(18)29(25,26)23-21/h2-9,12-13H,10-11H2,1H3,(H,22,23)