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

Systemtic Name: [2-[(3-chlorophenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 5-nitrothiophene-2-carboxylate Openeye Name: [2-(N-acetyl-3-chloro-anilino)thiazol-4-yl]methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-(N-acetyl-3-chloroanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-3-chloroanilino)-1,3-thiazol-4-yl]methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-(N-acetyl-3-chloro-anilino)thiazol-4-yl]methyl ester Formula: C17H12ClN3O5S2 MolecularWeight: 437.87728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClN3O5S2/c1-10(22)20(13-4-2-3-11(18)7-13)17-19-12(9-27-17)8-26-16(23)14-5-6-15(28-14)21(24)25/h2-7,9H,8H2,1H3