ethyl 5-azanyl-1-(5-chloranyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(5-chloranyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxylate Openeye Name: ethyl 5-amino-1-(5-chloro-1,3-benzothiazol-2-yl)pyrazole-3-carboxylate CAS Name: 5-amino-1-(5-chloro-1,3-benzothiazol-2-yl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(5-chloro-1,3-benzothiazol-2-yl)pyrazole-3-carboxylate Traditional Name: 5-amino-1-(5-chloro-1,3-benzothiazol-2-yl)pyrazole-3-carboxylic acid ethyl ester Formula: C13H11ClN4O2S MolecularWeight: 322.77004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)N)C2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)N)C2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C13H11ClN4O2S/c1-2-20-12(19)9-6-11(15)18(17-9)13-16-8-5-7(14)3-4-10(8)21-13/h3-6H,2,15H2,1H3