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

Systemtic Name: propan-2-yl 5-[(5-chloranyl-2-nitro-phenyl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 5-[(5-chloro-2-nitro-benzoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(5-chloro-2-nitrophenyl)-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[(5-chloro-2-nitrobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(5-chloro-2-nitro-benzoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C17H14ClN3O5S MolecularWeight: 407.82816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C17H14ClN3O5S/c1-8(2)26-17(23)14-9(3)12(7-19)16(27-14)20-15(22)11-6-10(18)4-5-13(11)21(24)25/h4-6,8H,1-3H3,(H,20,22)