5-[5-(2-chloranyl-4-fluoranyl-phenyl)sulfanyl-1,2,3,4-tetrazol-1-yl]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-[5-(2-chloranyl-4-fluoranyl-phenyl)sulfanyl-1,2,3,4-tetrazol-1-yl]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-5-[5-(2-chloro-4-fluoro-phenyl)sulfanyltetrazol-1-yl]-4-oxo-pentanoic acid CAS Name: 5-[5-[(2-chloro-4-fluorophenyl)thio]-1-tetrazolyl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-[5-(2-chloro-4-fluorophenyl)sulfanyltetrazol-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-5-[5-[(2-chloro-4-fluoro-phenyl)thio]tetrazol-1-yl]-4-keto-valeric acid Formula: C20H17ClFN5O5S MolecularWeight: 493.895883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(=O)CN2C(=NN=N2)SC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(=O)CN2C(=NN=N2)SC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C20H17ClFN5O5S/c21-14-8-13(22)6-7-17(14)33-19-24-25-26-27(19)10-16(28)15(9-18(29)30)23-20(31)32-11-12-4-2-1-3-5-12/h1-8,15H,9-11H2,(H,23,31)(H,29,30)