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

Systemtic Name: ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-[(2-methylphenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxylate CAS Name: 4-[(ethoxycarbonylamino)-oxomethyl]-3-methyl-5-[[(2-methylphenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxylate Traditional Name: 4-(carbethoxycarbamoyl)-3-methyl-5-(o-toluoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CC=C2C)C(=O)NC(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CC=C2C)C(=O)NC(=O)OCC)C

InChI

InChI=1S/C20H22N2O6S/c1-5-27-19(25)15-12(4)14(17(24)22-20(26)28-6-2)18(29-15)21-16(23)13-10-8-7-9-11(13)3/h7-10H,5-6H2,1-4H3,(H,21,23)(H,22,24,26)