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

Systemtic Name: ethyl 4-[(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)piperazine-1-carboxylate CAS Name: 4-[oxo-[2-(1-pyrrolyl)-1,3-benzothiazol-6-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S/c1-2-26-19(25)23-11-9-21(10-12-23)17(24)14-5-6-15-16(13-14)27-18(20-15)22-7-3-4-8-22/h3-8,13H,2,9-12H2,1H3