ethyl 4-[2-[[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[[2-(1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H25N6O3S+ MolecularWeight: 429.5159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=NN2C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=NN2C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C20H24N6O3S/c1-3-29-20(28)25-10-8-24(9-11-25)13-18(27)22-17-12-14(2)23-26(17)19-21-15-6-4-5-7-16(15)30-19/h4-7,12H,3,8-11,13H2,1-2H3,(H,22,27)/p+1