[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C22H22N2O3S3 MolecularWeight: 458.61668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CC=CC=C2SCC3=CSC=N3

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CC=CC=C2SCC3=CSC=N3

InChI

InChI=1S/C22H22N2O3S3/c25-21(23-11-6-12-29-18-7-2-1-3-8-18)13-27-22(26)19-9-4-5-10-20(19)30-15-17-14-28-16-24-17/h1-5,7-10,14,16H,6,11-13,15H2,(H,23,25)