methyl 4-methyl-2-[(3-nitrophenyl)carbonylamino]-5-(phenethylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(3-nitrophenyl)carbonylamino]-5-(phenethylcarbamoyl)thiophene-3-carboxylate Openeye Name: methyl 4-methyl-2-[(3-nitrobenzoyl)amino]-5-(phenethylcarbamoyl)thiophene-3-carboxylate CAS Name: 4-methyl-2-[[(3-nitrophenyl)-oxomethyl]amino]-5-[oxo-(phenethylamino)methyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(3-nitrobenzoyl)amino]-5-(phenethylcarbamoyl)thiophene-3-carboxylate Traditional Name: 4-methyl-2-[(3-nitrobenzoyl)amino]-5-(phenethylcarbamoyl)thiophene-3-carboxylic acid methyl ester Formula: C23H21N3O6S MolecularWeight: 467.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H21N3O6S/c1-14-18(23(29)32-2)22(25-20(27)16-9-6-10-17(13-16)26(30)31)33-19(14)21(28)24-12-11-15-7-4-3-5-8-15/h3-10,13H,11-12H2,1-2H3,(H,24,28)(H,25,27)