(1-oxidanylidene-1-phenothiazin-10-yl-propan-2-yl) 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: (1-oxidanylidene-1-phenothiazin-10-yl-propan-2-yl) 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: (1-methyl-2-oxo-2-phenothiazin-10-yl-ethyl) 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [1-oxo-1-(10-phenothiazinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-phenothiazin-10-ylpropan-2-yl) 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid (2-keto-1-methyl-2-phenothiazin-10-yl-ethyl) ester Formula: C29H20N2O3S2 MolecularWeight: 508.6107

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C4=CC=CC=C4C5=NC6=CC=CC=C6S5

Isomeric SMILES

CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C4=CC=CC=C4C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C29H20N2O3S2/c1-18(28(32)31-22-13-5-8-16-25(22)35-26-17-9-6-14-23(26)31)34-29(33)20-11-3-2-10-19(20)27-30-21-12-4-7-15-24(21)36-27/h2-18H,1H3