methyl 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-1-yl)-3-bromanyl-benzoate

Systemtic Name: methyl 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-1-yl)-3-bromanyl-benzoate Openeye Name: methyl 4-[7-acetamido-3-(3-pyridyl)-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-1-yl]-3-bromo-benzoate CAS Name: 4-[7-acetamido-3-(3-pyridinyl)-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-1-yl]-3-bromobenzoic acid methyl ester IUPAC Name: methyl 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-1-yl)-3-bromobenzoate Traditional Name: 4-[7-acetamido-3-(3-pyridyl)-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-1-yl]-3-bromo-benzoic acid methyl ester Formula: C23H18BrN5O3S MolecularWeight: 524.38972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(S1)C3=C(CC2)C(=NN3C4=C(C=C(C=C4)C(=O)OC)Br)C5=CN=CC=C5

Isomeric SMILES

CC(=O)NC1=NC2=C(S1)C3=C(CC2)C(=NN3C4=C(C=C(C=C4)C(=O)OC)Br)C5=CN=CC=C5

InChI

InChI=1S/C23H18BrN5O3S/c1-12(30)26-23-27-17-7-6-15-19(14-4-3-9-25-11-14)28-29(20(15)21(17)33-23)18-8-5-13(10-16(18)24)22(31)32-2/h3-5,8-11H,6-7H2,1-2H3,(H,26,27,30)