ethyl 1-[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[2,5-dimethyl-3-(2-methylthiazol-4-yl)pyrrol-1-yl]acetyl]piperidine-3-carboxylate CAS Name: 1-[2-[2,5-dimethyl-3-(2-methyl-4-thiazolyl)-1-pyrrolyl]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[2,5-dimethyl-3-(2-methylthiazol-4-yl)pyrrol-1-yl]acetyl]nipecotic acid ethyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CN2C(=CC(=C2C)C3=CSC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CN2C(=CC(=C2C)C3=CSC(=N3)C)C

InChI

InChI=1S/C20H27N3O3S/c1-5-26-20(25)16-7-6-8-22(10-16)19(24)11-23-13(2)9-17(14(23)3)18-12-27-15(4)21-18/h9,12,16H,5-8,10-11H2,1-4H3