5-[5-[2,6-bis(chloranyl)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)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-dichlorophenyl)sulfanyltetrazol-2-yl]-4-oxo-pentanoic acid CAS Name: 3-[[2-(4-cyanophenyl)ethoxy-oxomethyl]amino]-5-[5-[(2,6-dichlorophenyl)thio]-2-tetrazolyl]-4-oxopentanoic acid IUPAC Name: 3-[2-(4-cyanophenyl)ethoxycarbonylamino]-5-[5-(2,6-dichlorophenyl)sulfanyltetrazol-2-yl]-4-oxopentanoic acid Traditional Name: 3-[2-(4-cyanophenyl)ethoxycarbonylamino]-5-[5-[(2,6-dichlorophenyl)thio]tetrazol-2-yl]-4-keto-valeric acid Formula: C22H18Cl2N6O5S MolecularWeight: 549.38652

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Descriptors Computed from Structure

Canonical SMILES:

C1=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

C1=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/C22H18Cl2N6O5S/c23-15-2-1-3-16(24)20(15)36-21-27-29-30(28-21)12-18(31)17(10-19(32)33)26-22(34)35-9-8-13-4-6-14(11-25)7-5-13/h1-7,17H,8-10,12H2,(H,26,34)(H,32,33)