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

Systemtic Name: methyl 3-chloranyl-6-[(1,5-dimethyl-4-nitro-pyrazol-3-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(1,5-dimethyl-4-nitro-pyrazole-3-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(1,5-dimethyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(1,5-dimethyl-4-nitropyrazole-3-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(1,5-dimethyl-4-nitro-pyrazole-3-carbonyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C16H13ClN4O5S MolecularWeight: 408.81622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN4O5S/c1-7-13(21(24)25)12(19-20(7)2)15(22)18-8-4-5-9-10(6-8)27-14(11(9)17)16(23)26-3/h4-6H,1-3H3,(H,18,22)