(2-oxidanylideneazepan-3-yl) 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (2-oxoazepan-3-yl) 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(4-chlorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 1-(4-chlorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid (2-ketoazepan-3-yl) ester Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC3CCCCNC3=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OC3CCCCNC3=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H18ClN3O3S/c1-11-14-10-16(19(25)26-15-4-2-3-9-21-17(15)24)27-18(14)23(22-11)13-7-5-12(20)6-8-13/h5-8,10,15H,2-4,9H2,1H3,(H,21,24)