methyl 2-[4-(4-nitropyrazol-1-yl)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[4-(4-nitropyrazol-1-yl)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[4-(4-nitropyrazol-1-yl)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[4-(4-nitro-1-pyrazolyl)-1-oxobutyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-nitropyrazol-1-yl)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[4-(4-nitropyrazol-1-yl)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=O)CCCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=O)CCCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5S/c1-25-16(22)14-11-4-2-5-12(11)26-15(14)18-13(21)6-3-7-19-9-10(8-17-19)20(23)24/h8-9H,2-7H2,1H3,(H,18,21)