methyl 4-azanyl-5-(1,3-benzothiazol-2-yl)-2-(3-methoxycarbonylphenyl)pyrazole-3-carboxylate

Systemtic Name: methyl 4-azanyl-5-(1,3-benzothiazol-2-yl)-2-(3-methoxycarbonylphenyl)pyrazole-3-carboxylate Openeye Name: methyl 4-amino-5-(1,3-benzothiazol-2-yl)-2-(3-methoxycarbonylphenyl)pyrazole-3-carboxylate CAS Name: 4-amino-5-(1,3-benzothiazol-2-yl)-2-(3-methoxycarbonylphenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-amino-5-(1,3-benzothiazol-2-yl)-2-(3-methoxycarbonylphenyl)pyrazole-3-carboxylate Traditional Name: 4-amino-5-(1,3-benzothiazol-2-yl)-2-(3-carbomethoxyphenyl)pyrazole-3-carboxylic acid methyl ester Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)N2C(=C(C(=N2)C3=NC4=CC=CC=C4S3)N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)N2C(=C(C(=N2)C3=NC4=CC=CC=C4S3)N)C(=O)OC

InChI

InChI=1S/C20H16N4O4S/c1-27-19(25)11-6-5-7-12(10-11)24-17(20(26)28-2)15(21)16(23-24)18-22-13-8-3-4-9-14(13)29-18/h3-10H,21H2,1-2H3