[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [2-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-oxo-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [2-[2,5-dimethyl-1-(2-thenyl)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(N1CC2=CC=CS2)C)C(=O)COC(=O)C3CCN(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC(=O)C3CCN(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4S/c1-18-15-23(19(2)29(18)16-22-9-6-14-34-22)24(30)17-33-25(31)20-10-12-28(13-11-20)26(32)27-21-7-4-3-5-8-21/h3-9,14-15,20H,10-13,16-17H2,1-2H3,(H,27,32)