methyl 2-[[1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]methylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[[1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]methylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-pyrazol-4-ylidene]methylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-4-pyrazolylidene]methylamino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenylpyrazol-4-ylidene]methylamino]-4,5-dimethoxybenzoate Traditional Name: 2-[[1-(1,3-benzothiazol-2-yl)-5-keto-3-phenyl-2-pyrazolin-4-ylidene]methylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C27H22N4O5S MolecularWeight: 514.55238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H22N4O5S/c1-34-21-13-17(26(33)36-3)20(14-22(21)35-2)28-15-18-24(16-9-5-4-6-10-16)30-31(25(18)32)27-29-19-11-7-8-12-23(19)37-27/h4-15,28H,1-3H3