[2-[ethanoyl-(4-ethylphenyl)amino]-1,3-thiazol-4-yl]methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[ethanoyl-(4-ethylphenyl)amino]-1,3-thiazol-4-yl]methyl 5-nitrothiophene-2-carboxylate Openeye Name: [2-(N-acetyl-4-ethyl-anilino)thiazol-4-yl]methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-(N-acetyl-4-ethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-(N-acetyl-4-ethyl-anilino)thiazol-4-yl]methyl ester Formula: C19H17N3O5S2 MolecularWeight: 431.48538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=CC=C(S3)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=CC=C(S3)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C19H17N3O5S2/c1-3-13-4-6-15(7-5-13)21(12(2)23)19-20-14(11-28-19)10-27-18(24)16-8-9-17(29-16)22(25)26/h4-9,11H,3,10H2,1-2H3