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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCCS(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCCS(=O)(=O)C2=CC=CC=C2)C

InChI

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