methyl 4-(4-ethylphenyl)-2-[2-(4-nitrophenoxy)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-ethylphenyl)-2-[2-(4-nitrophenoxy)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-ethylphenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-ethylphenyl)-2-[[2-(4-nitrophenoxy)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-ethylphenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-ethylphenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O6S/c1-3-14-4-6-15(7-5-14)18-13-31-21(20(18)22(26)29-2)23-19(25)12-30-17-10-8-16(9-11-17)24(27)28/h4-11,13H,3,12H2,1-2H3,(H,23,25)