[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [(1R)-2-amino-2-oxo-1-phenyl-ethyl] 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid [(1R)-2-amino-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-amino-2-oxo-1-phenylethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid [(1R)-2-amino-2-keto-1-phenyl-ethyl] ester Formula: C19H16N2O3S2 MolecularWeight: 384.47194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)N)OC(=O)C2=CC=C(C=C2)SCC3=CSC=N3

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)N)OC(=O)C2=CC=C(C=C2)SCC3=CSC=N3

InChI

InChI=1S/C19H16N2O3S2/c20-18(22)17(13-4-2-1-3-5-13)24-19(23)14-6-8-16(9-7-14)26-11-15-10-25-12-21-15/h1-10,12,17H,11H2,(H2,20,22)/t17-/m1/s1