[1-oxidanylidene-1-[(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)amino]butan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [1-oxidanylidene-1-[(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)amino]butan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: 1-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)carbamoyl]propyl 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [1-oxo-1-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)amino]butan-2-yl] ester IUPAC Name: [1-oxo-1-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)amino]butan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid 1-[(5-keto-1-phenyl-3-pyrazolin-3-yl)carbamoyl]propyl ester Formula: C27H22N4O4S MolecularWeight: 498.55298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=O)N(N1)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC(C(=O)NC1=CC(=O)N(N1)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H22N4O4S/c1-2-21(25(33)29-23-16-24(32)31(30-23)17-10-4-3-5-11-17)35-27(34)19-13-7-6-12-18(19)26-28-20-14-8-9-15-22(20)36-26/h3-16,21,30H,2H2,1H3,(H,29,33)