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

Systemtic Name: methyl 3-chloranyl-6-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H17ClN4O5S MolecularWeight: 436.86938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN4O5S/c1-9-16(23(26)27)10(2)22(21-9)7-6-14(24)20-11-4-5-12-13(8-11)29-17(15(12)19)18(25)28-3/h4-5,8H,6-7H2,1-3H3,(H,20,24)