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

Systemtic Name: ethyl 3-methyl-5-[4-(phenylsulfonyl)butanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-[4-(benzenesulfonyl)butanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[4-(benzenesulfonyl)-1-oxobutyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(benzenesulfonyl)butanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 5-(4-besylbutanoylamino)-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H21NO5S2 MolecularWeight: 395.49304

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO5S2/c1-3-24-18(21)17-13(2)12-16(25-17)19-15(20)10-7-11-26(22,23)14-8-5-4-6-9-14/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,19,20)