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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H25N3O3S/c1-4-28-22(27)19-13(2)18(14(3)23-19)21(26)25-11-7-8-15(12-25)20-24-16-9-5-6-10-17(16)29-20/h5-6,9-10,15,23H,4,7-8,11-12H2,1-3H3/t15-/m1/s1