[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(2-thenoylamino)propionic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4)C

InChI

InChI=1S/C25H29N3O4S/c1-16-10-17(2)14-28(13-16)23(29)15-32-25(31)21(27-24(30)22-8-5-9-33-22)11-18-12-26-20-7-4-3-6-19(18)20/h3-9,12,16-17,21,26H,10-11,13-15H2,1-2H3,(H,27,30)