dodecyl 3-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-yl]-[2,6-diacetamido-4-[(5-chloranyl-2,1-benzothiazol-3-yl)diazenyl]phenoxy]methyl]benzoate

Systemtic Name: dodecyl 3-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-yl]-[2,6-diacetamido-4-[(5-chloranyl-2,1-benzothiazol-3-yl)diazenyl]phenoxy]methyl]benzoate Openeye Name: dodecyl 3-[[2,6-diacetamido-4-[(5-chloro-2,1-benzothiazol-3-yl)azo]phenoxy]-(3,5-dioxo-1-phenyl-pyrazolidin-4-yl)methyl]benzoate CAS Name: 3-[[2,6-diacetamido-4-[(5-chloro-2,1-benzothiazol-3-yl)azo]phenoxy]-(3,5-dioxo-1-phenyl-4-pyrazolidinyl)methyl]benzoic acid dodecyl ester IUPAC Name: dodecyl 3-[[2,6-diacetamido-4-[(5-chloro-2,1-benzothiazol-3-yl)diazenyl]phenoxy]-(3,5-dioxo-1-phenylpyrazolidin-4-yl)methyl]benzoate Traditional Name: 3-[[2,6-diacetamido-4-[(5-chloro-2,1-benzothiazol-3-yl)azo]phenoxy]-(3,5-diketo-1-phenyl-pyrazolidin-4-yl)methyl]benzoic acid lauryl ester Formula: C46H50ClN7O7S MolecularWeight: 880.4499

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)C(C2C(=O)NN(C2=O)C3=CC=CC=C3)OC4=C(C=C(C=C4NC(=O)C)N=NC5=C6C=C(C=CC6=NS5)Cl)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)C(C2C(=O)NN(C2=O)C3=CC=CC=C3)OC4=C(C=C(C=C4NC(=O)C)N=NC5=C6C=C(C=CC6=NS5)Cl)NC(=O)C

InChI

InChI=1S/C46H50ClN7O7S/c1-4-5-6-7-8-9-10-11-12-16-24-60-46(59)32-19-17-18-31(25-32)41(40-43(57)52-54(45(40)58)35-20-14-13-15-21-35)61-42-38(48-29(2)55)27-34(28-39(42)49-30(3)56)50-51-44-36-26-33(47)22-23-37(36)53-62-44/h13-15,17-23,25-28,40-41H,4-12,16,24H2,1-3H3,(H,48,55)(H,49,56)(H,52,57)