ethyl 4-methyl-5-(methylcarbamoyl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-methyl-5-(methylcarbamoyl)-2-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-methyl-5-(methylcarbamoyl)-2-[[2-[4-(4-nitrophenyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H27N5O6S MolecularWeight: 489.54468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O6S/c1-4-33-22(30)18-14(2)19(20(29)23-3)34-21(18)24-17(28)13-25-9-11-26(12-10-25)15-5-7-16(8-6-15)27(31)32/h5-8H,4,9-13H2,1-3H3,(H,23,29)(H,24,28)