[2-oxidanylidene-2-(1-thiophen-2-ylethylamino)ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1-thiophen-2-ylethylamino)ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-[1-(2-thienyl)ethylamino]ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-keto-2-[1-(2-thienyl)ethylamino]ethyl] ester Formula: C14H15N3O5S MolecularWeight: 337.351

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)COC(=O)C2=CC(=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CS1)NC(=O)COC(=O)C2=CC(=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O5S/c1-9(12-4-3-5-23-12)15-13(18)8-22-14(19)11-6-10(17(20)21)7-16(11)2/h3-7,9H,8H2,1-2H3,(H,15,18)