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

Systemtic Name: methyl 5-(dipropylcarbamoyl)-4-methyl-2-[(3-methylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dipropylcarbamoyl)-4-methyl-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylate CAS Name: 5-[(dipropylamino)-oxomethyl]-4-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dipropylcarbamoyl)-4-methyl-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-(dipropylcarbamoyl)-4-methyl-2-(m-toluoylamino)thiophene-3-carboxylic acid methyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)C)C(=O)OC)C

Isomeric SMILES

CCCN(CCC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)C)C(=O)OC)C

InChI

InChI=1S/C22H28N2O4S/c1-6-11-24(12-7-2)21(26)18-15(4)17(22(27)28-5)20(29-18)23-19(25)16-10-8-9-14(3)13-16/h8-10,13H,6-7,11-12H2,1-5H3,(H,23,25)