[2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxidanylidene-ethyl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxidanylidene-ethyl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxo-ethyl] 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-keto-ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)N)NC(=O)C

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)N)NC(=O)C

InChI

InChI=1S/C21H22N2O5S/c1-13(23-14(2)24)15-7-9-16(10-8-15)18(25)11-28-21(27)17-5-3-4-6-19(17)29-12-20(22)26/h3-10,13H,11-12H2,1-2H3,(H2,22,26)(H,23,24)/t13-/m1/s1