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

Systemtic Name: methyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-chloro-4-nitro-benzoyl)amino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-4-(4-ethoxyphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-4-nitrobenzoyl)amino]-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-5-methyl-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C22H19ClN2O6S MolecularWeight: 474.91406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C22H19ClN2O6S/c1-4-31-15-8-5-13(6-9-15)18-12(2)32-21(19(18)22(27)30-3)24-20(26)16-10-7-14(25(28)29)11-17(16)23/h5-11H,4H2,1-3H3,(H,24,26)