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

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)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-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate Traditional Name: 3-(2-keto-1,3-benzoxazol-3-yl)propionic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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