(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C14H11N3O4S2 MolecularWeight: 349.38484

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC2=CSC(=N2)C3=CSC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC2=CSC(=N2)C3=CSC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O4S2/c1-16-5-11(17(19)20)4-12(16)14(18)21-6-10-8-23-13(15-10)9-2-3-22-7-9/h2-5,7-8H,6H2,1H3