[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-4H-1,4-benzoxazin-2-yl]acetic 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)CC2C(=O)NC3=CC=CC=C3O2

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C[C@H]2C(=O)NC3=CC=CC=C3O2

InChI

InChI=1S/C21H22N2O5S/c24-19(22-11-6-12-29-15-7-2-1-3-8-15)14-27-20(25)13-18-21(26)23-16-9-4-5-10-17(16)28-18/h1-5,7-10,18H,6,11-14H2,(H,22,24)(H,23,26)/t18-/m0/s1