5-[5-(2-chlorophenyl)sulfanyl-1,2,3,4-tetrazol-1-yl]-4-oxidanylidene-3-(phenethylsulfanylcarbonylamino)pentanoic acid

Systemtic Name: 5-[5-(2-chlorophenyl)sulfanyl-1,2,3,4-tetrazol-1-yl]-4-oxidanylidene-3-(phenethylsulfanylcarbonylamino)pentanoic acid Openeye Name: 5-[5-(2-chlorophenyl)sulfanyltetrazol-1-yl]-4-oxo-3-(phenethylsulfanylcarbonylamino)pentanoic acid CAS Name: 5-[5-[(2-chlorophenyl)thio]-1-tetrazolyl]-4-oxo-3-[[oxo-(phenethylthio)methyl]amino]pentanoic acid IUPAC Name: 5-[5-(2-chlorophenyl)sulfanyltetrazol-1-yl]-4-oxo-3-(phenethylsulfanylcarbonylamino)pentanoic acid Traditional Name: 5-[5-[(2-chlorophenyl)thio]tetrazol-1-yl]-4-keto-3-[(phenethylthio)carbonylamino]valeric acid Formula: C21H20ClN5O4S2 MolecularWeight: 505.9976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC(=O)NC(CC(=O)O)C(=O)CN2C(=NN=N2)SC3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)CCSC(=O)NC(CC(=O)O)C(=O)CN2C(=NN=N2)SC3=CC=CC=C3Cl

InChI

InChI=1S/C21H20ClN5O4S2/c22-15-8-4-5-9-18(15)33-20-24-25-26-27(20)13-17(28)16(12-19(29)30)23-21(31)32-11-10-14-6-2-1-3-7-14/h1-9,16H,10-13H2,(H,23,31)(H,29,30)