[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-[(2,5-diphenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C28H24N4O3S MolecularWeight: 496.58016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C28H24N4O3S/c33-26(19-35-28(34)17-9-16-27-29-22-14-7-8-15-24(22)36-27)30-25-18-23(20-10-3-1-4-11-20)31-32(25)21-12-5-2-6-13-21/h1-8,10-15,18H,9,16-17,19H2,(H,30,33)