ethyl 4-methyl-2-[(3-methylphenyl)carbonylamino]-5-pyrrolidin-1-ylcarbonyl-thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(3-methylphenyl)carbonylamino]-5-pyrrolidin-1-ylcarbonyl-thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-2-[(3-methylbenzoyl)amino]-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate CAS Name: 4-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]-5-[oxo(1-pyrrolidinyl)methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(3-methylbenzoyl)amino]-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate Traditional Name: 4-methyl-2-(m-toluoylamino)-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCC2)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCC2)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H24N2O4S/c1-4-27-21(26)16-14(3)17(20(25)23-10-5-6-11-23)28-19(16)22-18(24)15-9-7-8-13(2)12-15/h7-9,12H,4-6,10-11H2,1-3H3,(H,22,24)