2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylbenzoic acid

Systemtic Name: 2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylbenzoic acid Openeye Name: 2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanylbenzoic acid CAS Name: 2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]benzoic acid IUPAC Name: 2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylbenzoic acid Traditional Name: 2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]benzoic acid Formula: C21H15NO3S2 MolecularWeight: 393.4787

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C21H15NO3S2/c23-20(13-26-17-10-4-1-7-14(17)21(24)25)22-15-8-2-5-11-18(15)27-19-12-6-3-9-16(19)22/h1-12H,13H2,(H,24,25)