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

Systemtic Name: methyl 3-chloranyl-6-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H19ClN4O5S MolecularWeight: 450.89596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(C)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN4O5S/c1-9(8-23-11(3)16(24(27)28)10(2)22-23)18(25)21-12-5-6-13-14(7-12)30-17(15(13)20)19(26)29-4/h5-7,9H,8H2,1-4H3,(H,21,25)