methyl 3-chloranyl-6-[2-(3-methyl-5-nitro-pyrazol-1-yl)ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[2-(3-methyl-5-nitro-pyrazol-1-yl)ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[2-(3-methyl-5-nitro-pyrazol-1-yl)acetyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[2-(3-methyl-5-nitro-1-pyrazolyl)-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[2-(3-methyl-5-nitropyrazol-1-yl)acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[2-(3-methyl-5-nitro-pyrazol-1-yl)acetyl]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=NN(C(=C1)[N+](=O)[O-])CC(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1=NN(C(=C1)[N+](=O)[O-])CC(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C16H13ClN4O5S/c1-8-5-13(21(24)25)20(19-8)7-12(22)18-9-3-4-10-11(6-9)27-15(14(10)17)16(23)26-2/h3-6H,7H2,1-2H3,(H,18,22)