1,3-benzothiazol-2-ylmethyl-[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-2-pyrrolyl]amino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl]-methyl-ammonium Formula: C25H26N5O2S+ MolecularWeight: 460.57124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C25H25N5O2S/c1-16-17(2)30(18-9-11-19(32-4)12-10-18)25(20(16)13-26)28-23(31)14-29(3)15-24-27-21-7-5-6-8-22(21)33-24/h5-12H,14-15H2,1-4H3,(H,28,31)/p+1