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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C24H18N2O3S2 MolecularWeight: 446.54132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18N2O3S2/c27-23(15-29-24(28)14-13-22-25-16-7-1-4-10-19(16)31-22)26-17-8-2-5-11-20(17)30-21-12-6-3-9-18(21)26/h1-12H,13-15H2