ethyl 3-methyl-4-(methylcarbamoyl)-5-[4-(phenylsulfonyl)butanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-4-(methylcarbamoyl)-5-[4-(phenylsulfonyl)butanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-[4-(benzenesulfonyl)butanoylamino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate CAS Name: 5-[[4-(benzenesulfonyl)-1-oxobutyl]amino]-3-methyl-4-(methylcarbamoyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(benzenesulfonyl)butanoylamino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate Traditional Name: 5-(4-besylbutanoylamino)-3-methyl-4-(methylcarbamoyl)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=CC=C2)C(=O)NC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O6S2/c1-4-28-20(25)17-13(2)16(18(24)21-3)19(29-17)22-15(23)11-8-12-30(26,27)14-9-6-5-7-10-14/h5-7,9-10H,4,8,11-12H2,1-3H3,(H,21,24)(H,22,23)