2-oxidanylidenepropyl 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: 2-oxidanylidenepropyl 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: acetonyl 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(3-chlorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 1-(3-chlorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid acetonyl ester Formula: C16H13ClN2O3S MolecularWeight: 348.80402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)C)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)C)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H13ClN2O3S/c1-9(20)8-22-16(21)14-7-13-10(2)18-19(15(13)23-14)12-5-3-4-11(17)6-12/h3-7H,8H2,1-2H3