(4-bromanyl-2,7-dimethoxy-10H-phenothiazin-3-yl) benzoate

Systemtic Name: (4-bromanyl-2,7-dimethoxy-10H-phenothiazin-3-yl) benzoate Openeye Name: (4-bromo-2,7-dimethoxy-10H-phenothiazin-3-yl) benzoate CAS Name: benzoic acid (4-bromo-2,7-dimethoxy-10H-phenothiazin-3-yl) ester IUPAC Name: (4-bromo-2,7-dimethoxy-10H-phenothiazin-3-yl) benzoate Traditional Name: benzoic acid (4-bromo-2,7-dimethoxy-10H-phenothiazin-3-yl) ester Formula: C21H16BrNO4S MolecularWeight: 458.32504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=CC(=C(C(=C3S2)Br)OC(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=CC(=C(C(=C3S2)Br)OC(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C21H16BrNO4S/c1-25-13-8-9-14-17(10-13)28-20-15(23-14)11-16(26-2)19(18(20)22)27-21(24)12-6-4-3-5-7-12/h3-11,23H,1-2H3