methyl 2-[1,1,4-tris(oxidanylidene)-2-phenyl-3H-1$l^{6},2,5-benzothiadiazepin-5-yl]ethanoate

Systemtic Name: methyl 2-[1,1,4-tris(oxidanylidene)-2-phenyl-3H-1$l^{6},2,5-benzothiadiazepin-5-yl]ethanoate Openeye Name: methyl 2-(1,1,4-trioxo-2-phenyl-3H-1$l^{6},2,5-benzothiadiazepin-5-yl)acetate CAS Name: 2-(1,1,4-trioxo-2-phenyl-3H-1$l^{6},2,5-benzothiadiazepin-5-yl)acetic acid methyl ester IUPAC Name: methyl 2-(1,1,4-trioxo-2-phenyl-3H-1$l^{6},2,5-benzothiadiazepin-5-yl)acetate Traditional Name: 2-(1,1,4-triketo-2-phenyl-3H-1$l^{6},2,5-benzothiadiazepin-5-yl)acetic acid methyl ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)CN(S(=O)(=O)C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C(=O)CN(S(=O)(=O)C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C17H16N2O5S/c1-24-17(21)12-18-14-9-5-6-10-15(14)25(22,23)19(11-16(18)20)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3