(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: (2-keto-6,7-dimethyl-chromen-4-yl)methyl-[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C22H25N2O3S+ MolecularWeight: 397.5105

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC(=O)NC3=CC=CC=C3SC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC(=O)NC3=CC=CC=C3SC)C

InChI

InChI=1S/C22H24N2O3S/c1-14-9-17-16(11-22(26)27-19(17)10-15(14)2)12-24(3)13-21(25)23-18-7-5-6-8-20(18)28-4/h5-11H,12-13H2,1-4H3,(H,23,25)/p+1