methyl 3-chloranyl-6-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H19ClN4O5S MolecularWeight: 498.93876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C23H19ClN4O5S/c1-12-20(28(31)32)13(2)27(26-12)11-14-4-6-15(7-5-14)22(29)25-16-8-9-17-18(10-16)34-21(19(17)24)23(30)33-3/h4-10H,11H2,1-3H3,(H,25,29)