[(2S)-1-[(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [(2S)-1-[(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [(1S)-2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [(2S)-1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [(1S)-2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCC2)C(=O)N)OC(=O)C3=CC(=CN3C)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C2=C(S1)CCC2)C(=O)N)OC(=O)C3=CC(=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O6S/c1-8(27-17(24)11-6-9(21(25)26)7-20(11)2)15(23)19-16-13(14(18)22)10-4-3-5-12(10)28-16/h6-8H,3-5H2,1-2H3,(H2,18,22)(H,19,23)/t8-/m0/s1