ethyl 2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H26N4O5S/c1-4-29-20(26)17-14-8-5-6-9-15(14)30-19(17)21-16(25)10-7-11-23-13(3)18(24(27)28)12(2)22-23/h4-11H2,1-3H3,(H,21,25)