5-[5-[2,6-bis(chloranyl)phenyl]sulfanyl-1,2,3,4-tetrazol-2-yl]-3-[2-(4-methoxyphenyl)ethylsulfanylcarbonylamino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-[5-[2,6-bis(chloranyl)phenyl]sulfanyl-1,2,3,4-tetrazol-2-yl]-3-[2-(4-methoxyphenyl)ethylsulfanylcarbonylamino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-[5-(2,6-dichlorophenyl)sulfanyltetrazol-2-yl]-3-[2-(4-methoxyphenyl)ethylsulfanylcarbonylamino]-4-oxo-pentanoic acid CAS Name: 5-[5-[(2,6-dichlorophenyl)thio]-2-tetrazolyl]-3-[[[2-(4-methoxyphenyl)ethylthio]-oxomethyl]amino]-4-oxopentanoic acid IUPAC Name: 5-[5-(2,6-dichlorophenyl)sulfanyltetrazol-2-yl]-3-[2-(4-methoxyphenyl)ethylsulfanylcarbonylamino]-4-oxopentanoic acid Traditional Name: 5-[5-[(2,6-dichlorophenyl)thio]tetrazol-2-yl]-4-keto-3-[[2-(4-methoxyphenyl)ethylthio]carbonylamino]valeric acid Formula: C22H21Cl2N5O5S2 MolecularWeight: 570.46864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCSC(=O)NC(CC(=O)O)C(=O)CN2N=C(N=N2)SC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CCSC(=O)NC(CC(=O)O)C(=O)CN2N=C(N=N2)SC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C22H21Cl2N5O5S2/c1-34-14-7-5-13(6-8-14)9-10-35-22(33)25-17(11-19(31)32)18(30)12-29-27-21(26-28-29)36-20-15(23)3-2-4-16(20)24/h2-8,17H,9-12H2,1H3,(H,25,33)(H,31,32)