(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-thiophen-2-ylbutanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-thiophen-2-ylbutanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C22H19NO3S2 MolecularWeight: 409.52116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)CCCC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)CCCC4=CC=CS4

InChI

InChI=1S/C22H19NO3S2/c24-21(15-26-22(25)13-5-7-16-8-6-14-27-16)23-17-9-1-3-11-19(17)28-20-12-4-2-10-18(20)23/h1-4,6,8-12,14H,5,7,13,15H2