ethyl 4-[1-[1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]ethylamino]benzoate

Systemtic Name: ethyl 4-[1-[1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]ethylamino]benzoate Openeye Name: ethyl 4-[1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-pyrazol-4-ylidene]ethylamino]benzoate CAS Name: 4-[1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-4-pyrazolylidene]ethylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenylpyrazol-4-ylidene]ethylamino]benzoate Traditional Name: 4-[1-[1-(1,3-benzothiazol-2-yl)-5-keto-3-phenyl-2-pyrazolin-4-ylidene]ethylamino]benzoic acid ethyl ester Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C

InChI

InChI=1S/C27H22N4O3S/c1-3-34-26(33)19-13-15-20(16-14-19)28-17(2)23-24(18-9-5-4-6-10-18)30-31(25(23)32)27-29-21-11-7-8-12-22(21)35-27/h4-16,28H,3H2,1-2H3