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

Systemtic Name: 5-[5-[2,6-bis(chloranyl)-4-methyl-phenyl]sulfanyl-1,2,3,4-tetrazol-2-yl]-3-[2-(4-cyanophenyl)ethoxycarbonylamino]-4-oxidanylidene-pentanoic acid Openeye Name: 3-[2-(4-cyanophenyl)ethoxycarbonylamino]-5-[5-(2,6-dichloro-4-methyl-phenyl)sulfanyltetrazol-2-yl]-4-oxo-pentanoic acid CAS Name: 3-[[2-(4-cyanophenyl)ethoxy-oxomethyl]amino]-5-[5-[(2,6-dichloro-4-methylphenyl)thio]-2-tetrazolyl]-4-oxopentanoic acid IUPAC Name: 3-[2-(4-cyanophenyl)ethoxycarbonylamino]-5-[5-(2,6-dichloro-4-methylphenyl)sulfanyltetrazol-2-yl]-4-oxopentanoic acid Traditional Name: 3-[2-(4-cyanophenyl)ethoxycarbonylamino]-5-[5-[(2,6-dichloro-4-methyl-phenyl)thio]tetrazol-2-yl]-4-keto-valeric acid Formula: C23H20Cl2N6O5S MolecularWeight: 563.4131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)SC2=NN(N=N2)CC(=O)C(CC(=O)O)NC(=O)OCCC3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)SC2=NN(N=N2)CC(=O)C(CC(=O)O)NC(=O)OCCC3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C23H20Cl2N6O5S/c1-13-8-16(24)21(17(25)9-13)37-22-28-30-31(29-22)12-19(32)18(10-20(33)34)27-23(35)36-7-6-14-2-4-15(11-26)5-3-14/h2-5,8-9,18H,6-7,10,12H2,1H3,(H,27,35)(H,33,34)