2-[(2,6-dinitro-4-phenothiazin-10-ylcarbonyl-phenyl)amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(2,6-dinitro-4-phenothiazin-10-ylcarbonyl-phenyl)amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[2,6-dinitro-4-(phenothiazine-10-carbonyl)anilino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[2,6-dinitro-4-[oxo(10-phenothiazinyl)methyl]anilino]-4-(methylthio)butanoic acid IUPAC Name: 2-[2,6-dinitro-4-(phenothiazine-10-carbonyl)anilino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[2,6-dinitro-4-(phenothiazine-10-carbonyl)anilino]-4-(methylthio)butyric acid Formula: C24H20N4O7S2 MolecularWeight: 540.5682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)O)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O7S2/c1-36-11-10-15(24(30)31)25-22-18(27(32)33)12-14(13-19(22)28(34)35)23(29)26-16-6-2-4-8-20(16)37-21-9-5-3-7-17(21)26/h2-9,12-13,15,25H,10-11H2,1H3,(H,30,31)