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

Systemtic Name: ethyl 5-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H25N3O3S/c1-4-28-22(27)18-13(2)19(23-14(18)3)21(26)25-11-9-15(10-12-25)20-24-16-7-5-6-8-17(16)29-20/h5-8,15,23H,4,9-12H2,1-3H3