methyl (2S)-3-[4-[2-(5-methyl-2-piperazin-1-yl-1,3-thiazol-4-yl)ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoate

Systemtic Name: methyl (2S)-3-[4-[2-(5-methyl-2-piperazin-1-yl-1,3-thiazol-4-yl)ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoate Openeye Name: methyl (2S)-2-(2-benzoylanilino)-3-[4-[2-(5-methyl-2-piperazin-1-yl-thiazol-4-yl)ethoxy]phenyl]propanoate CAS Name: (2S)-2-(2-benzoylanilino)-3-[4-[2-[5-methyl-2-(1-piperazinyl)-4-thiazolyl]ethoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(2-benzoylanilino)-3-[4-[2-(5-methyl-2-piperazin-1-yl-1,3-thiazol-4-yl)ethoxy]phenyl]propanoate Traditional Name: (2S)-2-(2-benzoylanilino)-3-[4-[2-(5-methyl-2-piperazino-thiazol-4-yl)ethoxy]phenyl]propionic acid methyl ester Formula: C33H36N4O4S MolecularWeight: 584.72834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)N2CCNCC2)CCOC3=CC=C(C=C3)CC(C(=O)OC)NC4=CC=CC=C4C(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(N=C(S1)N2CCNCC2)CCOC3=CC=C(C=C3)C[C@@H](C(=O)OC)NC4=CC=CC=C4C(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H36N4O4S/c1-23-28(36-33(42-23)37-19-17-34-18-20-37)16-21-41-26-14-12-24(13-15-26)22-30(32(39)40-2)35-29-11-7-6-10-27(29)31(38)25-8-4-3-5-9-25/h3-15,30,34-35H,16-22H2,1-2H3/t30-/m0/s1