S-[(2R)-2-acetamido-3-(2-ethanoylsulfanylethylamino)-3-oxidanylidene-propyl] benzenecarbothioate

Systemtic Name: S-[(2R)-2-acetamido-3-(2-ethanoylsulfanylethylamino)-3-oxidanylidene-propyl] benzenecarbothioate Openeye Name: S-[(2R)-2-acetamido-3-(2-acetylsulfanylethylamino)-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(2R)-2-acetamido-3-[2-(acetylthio)ethylamino]-3-oxopropyl] ester IUPAC Name: S-[(2R)-2-acetamido-3-(2-acetylsulfanylethylamino)-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(2R)-2-acetamido-3-[2-(acetylthio)ethylamino]-3-keto-propyl] ester Formula: C16H20N2O4S2 MolecularWeight: 368.471

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=O)C1=CC=CC=C1)C(=O)NCCSC(=O)C

Isomeric SMILES

CC(=O)N[C@@H](CSC(=O)C1=CC=CC=C1)C(=O)NCCSC(=O)C

InChI

InChI=1S/C16H20N2O4S2/c1-11(19)18-14(15(21)17-8-9-23-12(2)20)10-24-16(22)13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3,(H,17,21)(H,18,19)/t14-/m0/s1