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

Systemtic Name: methyl 4-(4-ethylphenyl)-2-[2-(2-methyl-4-nitro-phenoxy)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-ethylphenyl)-2-[[2-(2-methyl-4-nitro-phenoxy)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-ethylphenyl)-2-[[2-(2-methyl-4-nitrophenoxy)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-ethylphenyl)-2-[[2-(2-methyl-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-ethylphenyl)-2-[[2-(2-methyl-4-nitro-phenoxy)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O6S/c1-4-15-5-7-16(8-6-15)18-13-32-22(21(18)23(27)30-3)24-20(26)12-31-19-10-9-17(25(28)29)11-14(19)2/h5-11,13H,4,12H2,1-3H3,(H,24,26)