methyl 4-(3,4-dimethylphenyl)-2-[2-(4-nitrophenyl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(3,4-dimethylphenyl)-2-[2-(4-nitrophenyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(3,4-dimethylphenyl)-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[[2-(4-nitrophenyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(3,4-dimethylphenyl)-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H20N2O5S/c1-13-4-7-16(10-14(13)2)18-12-30-21(20(18)22(26)29-3)23-19(25)11-15-5-8-17(9-6-15)24(27)28/h4-10,12H,11H2,1-3H3,(H,23,25)