(E)-4-oxidanylidene-4-[[3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[[3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]amino]but-2-enoic acid Openeye Name: (E)-4-oxo-4-[3-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanylanilino]but-2-enoic acid CAS Name: (E)-4-oxo-4-[3-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]anilino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[3-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylanilino]but-2-enoic acid Traditional Name: (E)-4-keto-4-[3-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]anilino]but-2-enoic acid Formula: C24H18N2O4S2 MolecularWeight: 462.54072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=CC=CC(=C4)NC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=CC=CC(=C4)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C24H18N2O4S2/c27-22(12-13-24(29)30)25-16-6-5-7-17(14-16)31-15-23(28)26-18-8-1-3-10-20(18)32-21-11-4-2-9-19(21)26/h1-14H,15H2,(H,25,27)(H,29,30)/b13-12+