1-(3-nitrophenyl)ethyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: 1-(3-nitrophenyl)ethyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Openeye Name: 1-(3-nitrophenyl)ethyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid 1-(3-nitrophenyl)ethyl ester IUPAC Name: 1-(3-nitrophenyl)ethyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid 1-(3-nitrophenyl)ethyl ester Formula: C23H18N2O5S MolecularWeight: 434.46442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H18N2O5S/c1-15(16-8-6-9-18(13-16)25(27)28)29-22(26)19-10-3-2-7-17(19)14-31-23-24-20-11-4-5-12-21(20)30-23/h2-13,15H,14H2,1H3