ethyl 5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H26N4O3S/c1-4-29-22(28)19-14(2)20(23-15(19)3)21(27)26-11-9-25(10-12-26)13-18-24-16-7-5-6-8-17(16)30-18/h5-8,23H,4,9-13H2,1-3H3