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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C18H17ClN4O5S/c1-4-12(22-9(2)7-14(21-22)23(26)27)17(24)20-10-5-6-11-13(8-10)29-16(15(11)19)18(25)28-3/h5-8,12H,4H2,1-3H3,(H,20,24)