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

Systemtic Name: methyl 4-methyl-2-[(3-methylphenyl)carbonylamino]-5-pyrrolidin-1-ylcarbonyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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