5-[5-[2,6-bis(chloranyl)phenyl]sulfanyl-1,2,3,4-tetrazol-2-yl]-3-[2-(4-methyl-1,3-thiazol-5-yl)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-methyl-1,3-thiazol-5-yl)ethylsulfanylcarbonylamino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-[5-(2,6-dichlorophenyl)sulfanyltetrazol-2-yl]-3-[2-(4-methylthiazol-5-yl)ethylsulfanylcarbonylamino]-4-oxo-pentanoic acid CAS Name: 5-[5-[(2,6-dichlorophenyl)thio]-2-tetrazolyl]-3-[[[2-(4-methyl-5-thiazolyl)ethylthio]-oxomethyl]amino]-4-oxopentanoic acid IUPAC Name: 5-[5-(2,6-dichlorophenyl)sulfanyltetrazol-2-yl]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanylcarbonylamino]-4-oxopentanoic acid Traditional Name: 5-[5-[(2,6-dichlorophenyl)thio]tetrazol-2-yl]-4-keto-3-[[2-(4-methylthiazol-5-yl)ethylthio]carbonylamino]valeric acid Formula: C19H18Cl2N6O4S3 MolecularWeight: 561.48502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)CCSC(=O)NC(CC(=O)O)C(=O)CN2N=C(N=N2)SC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CC1=C(SC=N1)CCSC(=O)NC(CC(=O)O)C(=O)CN2N=C(N=N2)SC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C19H18Cl2N6O4S3/c1-10-15(33-9-22-10)5-6-32-19(31)23-13(7-16(29)30)14(28)8-27-25-18(24-26-27)34-17-11(20)3-2-4-12(17)21/h2-4,9,13H,5-8H2,1H3,(H,23,31)(H,29,30)