2-(1,3-benzothiazol-2-yl)-4-[N-(2-methoxycarbonylphenyl)-C-methyl-carbonimidoyl]-5-methyl-pyrazol-3-olate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[N-(2-methoxycarbonylphenyl)-C-methyl-carbonimidoyl]-5-methyl-pyrazol-3-olate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[N-(2-methoxycarbonylphenyl)-C-methyl-carbonimidoyl]-5-methyl-pyrazol-3-olate CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(2-methoxycarbonylphenyl)iminoethyl]-5-methyl-3-pyrazololate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[N-(2-methoxycarbonylphenyl)-C-methylcarbonimidoyl]-5-methylpyrazol-3-olate Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[N-(2-carbomethoxyphenyl)-C-methyl-carbonimidoyl]-5-methyl-pyrazol-3-olate Formula: C21H17N4O3S- MolecularWeight: 405.44968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=NC2=CC=CC=C2C(=O)OC)C)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=C1C(=NC2=CC=CC=C2C(=O)OC)C)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18N4O3S/c1-12(22-15-9-5-4-8-14(15)20(27)28-3)18-13(2)24-25(19(18)26)21-23-16-10-6-7-11-17(16)29-21/h4-11,26H,1-3H3/p-1