ethyl 4-[2-[(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)carbonylamino]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)carbonylamino]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-2-[[oxo-[2-(1-pyrrolyl)-1,3-benzothiazol-6-yl]methyl]amino]ethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C22H25N5O4S/c1-2-31-22(30)27-11-7-16(8-12-27)24-19(28)14-23-20(29)15-5-6-17-18(13-15)32-21(25-17)26-9-3-4-10-26/h3-6,9-10,13,16H,2,7-8,11-12,14H2,1H3,(H,23,29)(H,24,28)