[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate CAS Name: 3-(2-oxo-1,3-benzoxazol-3-yl)propanoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate Traditional Name: 3-(2-keto-1,3-benzoxazol-3-yl)propionic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)CCN2C3=CC=CC=C3OC2=O

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)CCN2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C21H22N2O5S/c24-19(22-11-13-29-15-16-6-2-1-3-7-16)14-27-20(25)10-12-23-17-8-4-5-9-18(17)28-21(23)26/h1-9H,10-15H2,(H,22,24)