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

Systemtic Name: [2-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-ethanoyl-4-phenyl-piperidine-4-carboxylate Openeye Name: [2-[2,5-dimethyl-1-(4-methylthiazol-2-yl)pyrrol-3-yl]-2-oxo-ethyl] 1-acetyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-acetyl-4-phenyl-4-piperidinecarboxylic acid [2-[2,5-dimethyl-1-(4-methyl-2-thiazolyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-acetyl-4-phenyl-isonipecotic acid [2-[2,5-dimethyl-1-(4-methylthiazol-2-yl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC(=CS2)C)C)C(=O)COC(=O)C3(CCN(CC3)C(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=NC(=CS2)C)C)C(=O)COC(=O)C3(CCN(CC3)C(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4S/c1-17-16-34-25(27-17)29-18(2)14-22(19(29)3)23(31)15-33-24(32)26(21-8-6-5-7-9-21)10-12-28(13-11-26)20(4)30/h5-9,14,16H,10-13,15H2,1-4H3