methyl 5-(butylcarbamoyl)-4-methyl-2-[(4-methyl-3-nitro-phenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(butylcarbamoyl)-4-methyl-2-[(4-methyl-3-nitro-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(butylcarbamoyl)-4-methyl-2-[(4-methyl-3-nitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 5-[butylamino(oxo)methyl]-4-methyl-2-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(butylcarbamoyl)-4-methyl-2-[(4-methyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-(butylcarbamoyl)-4-methyl-2-[(4-methyl-3-nitro-benzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6S/c1-5-6-9-21-18(25)16-12(3)15(20(26)29-4)19(30-16)22-17(24)13-8-7-11(2)14(10-13)23(27)28/h7-8,10H,5-6,9H2,1-4H3,(H,21,25)(H,22,24)