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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4O5S/c1-7-12(21(24)25)13(20(2)19-7)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)