[2-oxidanylidene-2-(phenethylamino)ethyl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C25H22N2O4S/c28-23(26-15-14-18-8-2-1-3-9-18)16-30-24(29)20-11-5-4-10-19(20)17-32-25-27-21-12-6-7-13-22(21)31-25/h1-13H,14-17H2,(H,26,28)