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

Systemtic Name: ethyl 2-[(4-chloranyl-2-nitro-phenyl)carbonylamino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-chloro-2-nitro-benzoyl)amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-2-nitrophenyl)-oxomethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-2-nitrobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[(4-chloro-2-nitro-benzoyl)amino]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN2O5S/c1-4-25-17(22)12-8-14(9(2)3)26-16(12)19-15(21)11-6-5-10(18)7-13(11)20(23)24/h5-9H,4H2,1-3H3,(H,19,21)