[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] (2S)-3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] (2S)-3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate CAS Name: (2S)-2-[[oxo(thiophen-2-yl)methyl]amino]-3-phenylpropanoic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate Traditional Name: (2S)-3-phenyl-2-(2-thenoylamino)propionic acid [2-keto-2-(4-methylpiperidino)ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1CCN(CC1)C(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H26N2O4S/c1-16-9-11-24(12-10-16)20(25)15-28-22(27)18(14-17-6-3-2-4-7-17)23-21(26)19-8-5-13-29-19/h2-8,13,16,18H,9-12,14-15H2,1H3,(H,23,26)/t18-/m0/s1