[1-[2-(1,3-benzoxazol-2-ylsulfanyl)-3,3-diethyl-4-oxidanylidene-azetidin-1-yl]-2-ethoxy-2-oxidanylidene-ethyl] 4-methoxybenzoate

Systemtic Name: [1-[2-(1,3-benzoxazol-2-ylsulfanyl)-3,3-diethyl-4-oxidanylidene-azetidin-1-yl]-2-ethoxy-2-oxidanylidene-ethyl] 4-methoxybenzoate Openeye Name: [1-[2-(1,3-benzoxazol-2-ylsulfanyl)-3,3-diethyl-4-oxo-azetidin-1-yl]-2-ethoxy-2-oxo-ethyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [1-[2-(1,3-benzoxazol-2-ylthio)-3,3-diethyl-4-oxo-1-azetidinyl]-2-ethoxy-2-oxoethyl] ester IUPAC Name: [1-[2-(1,3-benzoxazol-2-ylsulfanyl)-3,3-diethyl-4-oxoazetidin-1-yl]-2-ethoxy-2-oxoethyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [1-[2-(1,3-benzoxazol-2-ylthio)-3,3-diethyl-4-keto-azetidin-1-yl]-2-ethoxy-2-keto-ethyl] ester Formula: C26H28N2O7S MolecularWeight: 512.57472

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(N(C1=O)C(C(=O)OCC)OC(=O)C2=CC=C(C=C2)OC)SC3=NC4=CC=CC=C4O3)CC

Isomeric SMILES

CCC1(C(N(C1=O)C(C(=O)OCC)OC(=O)C2=CC=C(C=C2)OC)SC3=NC4=CC=CC=C4O3)CC

InChI

InChI=1S/C26H28N2O7S/c1-5-26(6-2)23(31)28(24(26)36-25-27-18-10-8-9-11-19(18)34-25)20(22(30)33-7-3)35-21(29)16-12-14-17(32-4)15-13-16/h8-15,20,24H,5-7H2,1-4H3