ethyl 5-(butylcarbamoyl)-4-methyl-2-[(3-methylphenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(butylcarbamoyl)-4-methyl-2-[(3-methylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-(butylcarbamoyl)-4-methyl-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylate CAS Name: 5-[butylamino(oxo)methyl]-4-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(butylcarbamoyl)-4-methyl-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-(butylcarbamoyl)-4-methyl-2-(m-toluoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)C)C(=O)OCC)C

Isomeric SMILES

CCCCNC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)C)C(=O)OCC)C

InChI

InChI=1S/C21H26N2O4S/c1-5-7-11-22-19(25)17-14(4)16(21(26)27-6-2)20(28-17)23-18(24)15-10-8-9-13(3)12-15/h8-10,12H,5-7,11H2,1-4H3,(H,22,25)(H,23,24)