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

Systemtic Name: methyl 4-methyl-2-[(4-methylphenyl)carbonylamino]-5-pyrrolidin-1-ylcarbonyl-thiophene-3-carboxylate Openeye Name: methyl 4-methyl-2-[(4-methylbenzoyl)amino]-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate CAS Name: 4-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]-5-[oxo(1-pyrrolidinyl)methyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(4-methylbenzoyl)amino]-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate Traditional Name: 4-methyl-2-(p-toluoylamino)-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)N3CCCC3)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)N3CCCC3)C)C(=O)OC

InChI

InChI=1S/C20H22N2O4S/c1-12-6-8-14(9-7-12)17(23)21-18-15(20(25)26-3)13(2)16(27-18)19(24)22-10-4-5-11-22/h6-9H,4-5,10-11H2,1-3H3,(H,21,23)