ethyl 4-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-(2,5-dimethyl-1-pyrrolyl)-1,3-benzothiazol-6-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)N4C(=CC=C4C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)N4C(=CC=C4C)C

InChI

InChI=1S/C21H24N4O3S/c1-4-28-21(27)24-11-9-23(10-12-24)19(26)16-7-8-17-18(13-16)29-20(22-17)25-14(2)5-6-15(25)3/h5-8,13H,4,9-12H2,1-3H3