ethyl 2-[2-(5-nitroindazol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(5-nitroindazol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(5-nitroindazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(5-nitro-1-indazolyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(5-nitroindazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(5-nitroindazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C=N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C=N3

InChI

InChI=1S/C20H20N4O5S/c1-2-29-20(26)18-14-5-3-4-6-16(14)30-19(18)22-17(25)11-23-15-8-7-13(24(27)28)9-12(15)10-21-23/h7-10H,2-6,11H2,1H3,(H,22,25)