ethyl 4-aminocarbonyl-3-methyl-5-[4-(4-methylphenyl)sulfonylbutanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-aminocarbonyl-3-methyl-5-[4-(4-methylphenyl)sulfonylbutanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-carbamoyl-3-methyl-5-[4-(p-tolylsulfonyl)butanoylamino]thiophene-2-carboxylate CAS Name: 4-carbamoyl-3-methyl-5-[[4-(4-methylphenyl)sulfonyl-1-oxobutyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-3-methyl-5-[4-(4-methylphenyl)sulfonylbutanoylamino]thiophene-2-carboxylate Traditional Name: 4-carbamoyl-3-methyl-5-(4-tosylbutanoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C20H24N2O6S2 MolecularWeight: 452.54436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCS(=O)(=O)C2=CC=C(C=C2)C)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCS(=O)(=O)C2=CC=C(C=C2)C)C(=O)N)C

InChI

InChI=1S/C20H24N2O6S2/c1-4-28-20(25)17-13(3)16(18(21)24)19(29-17)22-15(23)6-5-11-30(26,27)14-9-7-12(2)8-10-14/h7-10H,4-6,11H2,1-3H3,(H2,21,24)(H,22,23)