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

Systemtic Name: propyl 2-[2-(4-nitropyrazol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5S/c1-2-7-26-17(23)15-12-5-3-4-6-13(12)27-16(15)19-14(22)10-20-9-11(8-18-20)21(24)25/h8-9H,2-7,10H2,1H3,(H,19,22)