(3-nitrophenyl)methyl 2-(2-methylpropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: (3-nitrophenyl)methyl 2-(2-methylpropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: (3-nitrophenyl)methyl 2-(2-methylpropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[(2-methyl-1-oxopropyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 2-(2-methylpropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-(isobutyrylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid (3-nitrobenzyl) ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C2=C(S1)CCC2)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=C(C2=C(S1)CCC2)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5S/c1-11(2)17(22)20-18-16(14-7-4-8-15(14)27-18)19(23)26-10-12-5-3-6-13(9-12)21(24)25/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,20,22)