phenanthridin-6-ylmethyl 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoate

Systemtic Name: phenanthridin-6-ylmethyl 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoate Openeye Name: phenanthridin-6-ylmethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate CAS Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate Traditional Name: 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetic acid phenanthridin-6-ylmethyl ester Formula: C23H16N2O5S MolecularWeight: 432.44854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2COC(=O)CN4C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2COC(=O)CN4C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C23H16N2O5S/c26-22(13-25-23(27)18-10-4-6-12-21(18)31(25,28)29)30-14-20-17-9-2-1-7-15(17)16-8-3-5-11-19(16)24-20/h1-12H,13-14H2