5-[5-[2,6-bis(chloranyl)-4-(dimethylamino)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-(dimethylamino)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-(dimethylamino)phenyl]sulfanyltetrazol-2-yl]-3-[2-(4-methoxyphenyl)ethoxycarbonylamino]-4-oxo-pentanoic acid CAS Name: 5-[5-[[2,6-dichloro-4-(dimethylamino)phenyl]thio]-2-tetrazolyl]-3-[[2-(4-methoxyphenyl)ethoxy-oxomethyl]amino]-4-oxopentanoic acid IUPAC Name: 5-[5-[2,6-dichloro-4-(dimethylamino)phenyl]sulfanyltetrazol-2-yl]-3-[2-(4-methoxyphenyl)ethoxycarbonylamino]-4-oxopentanoic acid Traditional Name: 5-[5-[[2,6-dichloro-4-(dimethylamino)phenyl]thio]tetrazol-2-yl]-4-keto-3-[2-(4-methoxyphenyl)ethoxycarbonylamino]valeric acid Formula: C24H26Cl2N6O6S MolecularWeight: 597.47084

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=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

CN(C)C1=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/C24H26Cl2N6O6S/c1-31(2)15-10-17(25)22(18(26)11-15)39-23-28-30-32(29-23)13-20(33)19(12-21(34)35)27-24(36)38-9-8-14-4-6-16(37-3)7-5-14/h4-7,10-11,19H,8-9,12-13H2,1-3H3,(H,27,36)(H,34,35)