[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-[4-(1,3-benzoxazol-2-yl)piperidino]-2-keto-ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)OCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)OCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H22N2O4S/c1-29-17-8-6-16(7-9-17)22(26)27-14-20(25)24-12-10-15(11-13-24)21-23-18-4-2-3-5-19(18)28-21/h2-9,15H,10-14H2,1H3