[1-[7-(2-azaniumyl-4-methylsulfanyl-butanoyl)oxy-6-ethyl-3-(4-methyl-1,3-thiazol-3-ium-2-yl)-4-oxidanylidene-chromen-2-yl]-3-methylsulfanyl-propyl]azanium

Systemtic Name: [1-[7-(2-azaniumyl-4-methylsulfanyl-butanoyl)oxy-6-ethyl-3-(4-methyl-1,3-thiazol-3-ium-2-yl)-4-oxidanylidene-chromen-2-yl]-3-methylsulfanyl-propyl]azanium Openeye Name: [1-[7-(2-azaniumyl-4-methylsulfanyl-butanoyl)oxy-6-ethyl-3-(4-methylthiazol-3-ium-2-yl)-4-oxo-chromen-2-yl]-3-methylsulfanyl-propyl]ammonium CAS Name: [1-[7-[2-ammonio-4-(methylthio)-1-oxobutoxy]-6-ethyl-3-(4-methyl-2-thiazol-3-iumyl)-4-oxo-1-benzopyran-2-yl]-3-(methylthio)propyl]ammonium IUPAC Name: [1-[7-(2-azaniumyl-4-methylsulfanylbutanoyl)oxy-6-ethyl-3-(4-methyl-1,3-thiazol-3-ium-2-yl)-4-oxochromen-2-yl]-3-methylsulfanylpropyl]azanium Traditional Name: [1-[7-[2-ammonio-4-(methylthio)butanoyl]oxy-6-ethyl-4-keto-3-(4-methylthiazol-3-ium-2-yl)chromen-2-yl]-3-(methylthio)propyl]ammonium Formula: C24H34N3O4S3+3 MolecularWeight: 524.73946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(CCSC)[NH3+])C3=[NH+]C(=CS3)C)OC(=O)C(CCSC)[NH3+]

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(CCSC)[NH3+])C3=[NH+]C(=CS3)C)OC(=O)C(CCSC)[NH3+]

InChI

InChI=1S/C24H31N3O4S3/c1-5-14-10-15-19(11-18(14)31-24(29)17(26)7-9-33-4)30-22(16(25)6-8-32-3)20(21(15)28)23-27-13(2)12-34-23/h10-12,16-17H,5-9,25-26H2,1-4H3/p+3