(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C25H20N2O3S2 MolecularWeight: 460.5679

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C25H20N2O3S2/c28-24(27-18-9-2-5-12-21(18)31-22-13-6-3-10-19(22)27)16-30-25(29)15-7-14-23-26-17-8-1-4-11-20(17)32-23/h1-6,8-13H,7,14-16H2