[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O4S/c25-19(24-12-10-23(11-13-24)16-6-2-1-3-7-16)14-27-20(26)15-29-21-22-17-8-4-5-9-18(17)28-21/h1-9H,10-15H2