2-(3,5-dimethylpyrazol-1-yl)ethyl 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid 2-(3,5-dimethyl-1-pyrazolyl)ethyl ester IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid 2-(3,5-dimethylpyrazol-1-yl)ethyl ester Formula: C16H15ClN2O2S MolecularWeight: 334.8205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCOC(=O)C2=C(C3=CC=CC=C3S2)Cl)C

Isomeric SMILES

CC1=CC(=NN1CCOC(=O)C2=C(C3=CC=CC=C3S2)Cl)C

InChI

InChI=1S/C16H15ClN2O2S/c1-10-9-11(2)19(18-10)7-8-21-16(20)15-14(17)12-5-3-4-6-13(12)22-15/h3-6,9H,7-8H2,1-2H3