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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(C)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C22H25N5O4S/c1-3-31-22(30)27-12-10-25(11-13-27)20(29)15(2)23-19(28)16-6-7-17-18(14-16)32-21(24-17)26-8-4-5-9-26/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,28)