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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)C)C(=O)OC

InChI

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