2-(ethanoylsulfanylamino)ethanoic acid; [4-(2-oxidanylidenecyclopropyl)phenyl] (phenylmethyl) carbonate

Systemtic Name: 2-(ethanoylsulfanylamino)ethanoic acid; [4-(2-oxidanylidenecyclopropyl)phenyl] (phenylmethyl) carbonate Openeye Name: 2-(acetylsulfanylamino)acetic acid; benzyl [4-(2-oxocyclopropyl)phenyl] carbonate CAS Name: 2-[(acetylthio)amino]acetic acid; carbonic acid [4-(2-oxocyclopropyl)phenyl] (phenylmethyl) ester IUPAC Name: 2-(acetylsulfanylamino)acetic acid; benzyl [4-(2-oxocyclopropyl)phenyl] carbonate Traditional Name: 2-[(acetylthio)amino]acetic acid; carbonic acid benzyl [4-(2-ketocyclopropyl)phenyl] ester Formula: C21H21NO7S MolecularWeight: 431.45894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SNCC(=O)O.C1C(C1=O)C2=CC=C(C=C2)OC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SNCC(=O)O.C1C(C1=O)C2=CC=C(C=C2)OC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H14O4.C4H7NO3S/c18-16-10-15(16)13-6-8-14(9-7-13)21-17(19)20-11-12-4-2-1-3-5-12;1-3(6)9-5-2-4(7)8/h1-9,15H,10-11H2;5H,2H2,1H3,(H,7,8)