(3-chloranyl-1-benzothiophen-2-yl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C16H14ClN3O4S MolecularWeight: 379.81806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC2=C(C3=CC=CC=C3S2)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC2=C(C3=CC=CC=C3S2)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClN3O4S/c1-9-16(20(22)23)10(2)19(18-9)7-14(21)24-8-13-15(17)11-5-3-4-6-12(11)25-13/h3-6H,7-8H2,1-2H3