5-[5-[2,6-bis(chloranyl)-4-methyl-phenyl]sulfanyl-1,2,3,4-tetrazol-2-yl]-3-[2-(4-methoxyphenyl)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-methoxyphenyl)ethoxycarbonylamino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-[5-(2,6-dichloro-4-methyl-phenyl)sulfanyltetrazol-2-yl]-3-[2-(4-methoxyphenyl)ethoxycarbonylamino]-4-oxo-pentanoic acid CAS Name: 5-[5-[(2,6-dichloro-4-methylphenyl)thio]-2-tetrazolyl]-3-[[2-(4-methoxyphenyl)ethoxy-oxomethyl]amino]-4-oxopentanoic acid IUPAC Name: 5-[5-(2,6-dichloro-4-methylphenyl)sulfanyltetrazol-2-yl]-3-[2-(4-methoxyphenyl)ethoxycarbonylamino]-4-oxopentanoic acid Traditional Name: 5-[5-[(2,6-dichloro-4-methyl-phenyl)thio]tetrazol-2-yl]-4-keto-3-[2-(4-methoxyphenyl)ethoxycarbonylamino]valeric acid Formula: C23H23Cl2N5O6S MolecularWeight: 568.42962

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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)OC)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)OC)Cl

InChI

InChI=1S/C23H23Cl2N5O6S/c1-13-9-16(24)21(17(25)10-13)37-22-27-29-30(28-22)12-19(31)18(11-20(32)33)26-23(34)36-8-7-14-3-5-15(35-2)6-4-14/h3-6,9-10,18H,7-8,11-12H2,1-2H3,(H,26,34)(H,32,33)