propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-nitrophenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-nitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: isopropyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[(4-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylic acid isopropyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)C)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)C)C

InChI

InChI=1S/C21H25N3O6S/c1-6-23(7-2)20(26)17-13(5)16(21(27)30-12(3)4)19(31-17)22-18(25)14-8-10-15(11-9-14)24(28)29/h8-12H,6-7H2,1-5H3,(H,22,25)