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

Systemtic Name: (2-oxidanylideneazepan-3-yl) 1-(2-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (2-oxoazepan-3-yl) 1-(2-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(2-chlorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 1-(2-chlorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(2-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=CC=C4Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OC3CCCCNC3=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C19H18ClN3O3S/c1-11-12-10-16(19(25)26-15-8-4-5-9-21-17(15)24)27-18(12)23(22-11)14-7-3-2-6-13(14)20/h2-3,6-7,10,15H,4-5,8-9H2,1H3,(H,21,24)