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

Systemtic Name: [2-oxidanylidene-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-oxo-2-[4-(1-phenylethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-keto-2-[4-(1-phenylethyl)piperazino]ethyl] ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCN(CC2)C(=O)COC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C1=CC=CC=C1)N2CCN(CC2)C(=O)COC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H25N3O4S/c1-17(18-7-3-2-4-8-18)25-11-13-26(14-12-25)21(27)15-29-22(28)16-31-23-24-19-9-5-6-10-20(19)30-23/h2-10,17H,11-16H2,1H3