ethyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-methyl-5-(propylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-methyl-5-(propylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-chloro-3-nitro-benzoyl)amino]-4-methyl-5-(propylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-4-methyl-5-[oxo(propylamino)methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4-methyl-5-(propylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]-4-methyl-5-(propylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C19H20ClN3O6S MolecularWeight: 453.8966

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCCNC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C19H20ClN3O6S/c1-4-8-21-17(25)15-10(3)14(19(26)29-5-2)18(30-15)22-16(24)11-6-7-12(20)13(9-11)23(27)28/h6-7,9H,4-5,8H2,1-3H3,(H,21,25)(H,22,24)