1,3-benzothiazol-2-ylmethyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H15N3O2S2 MolecularWeight: 405.4927

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C21H15N3O2S2/c1-13-15-11-18(28-20(15)24(23-13)14-7-3-2-4-8-14)21(25)26-12-19-22-16-9-5-6-10-17(16)27-19/h2-11H,12H2,1H3