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

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate CAS Name: (2S)-2-[[oxo(thiophen-2-yl)methyl]amino]-3-phenylpropanoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate Traditional Name: (2S)-3-phenyl-2-(2-thenoylamino)propionic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C26H27N3O4S MolecularWeight: 477.57528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C26H27N3O4S/c30-24(29-15-13-28(14-16-29)21-10-5-2-6-11-21)19-33-26(32)22(18-20-8-3-1-4-9-20)27-25(31)23-12-7-17-34-23/h1-12,17,22H,13-16,18-19H2,(H,27,31)/t22-/m0/s1