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

Systemtic Name: methyl 2-[4-(phenylsulfonyl)butanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[4-(benzenesulfonyl)butanoylamino]thiophene-3-carboxylate CAS Name: 2-[[4-(benzenesulfonyl)-1-oxobutyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(benzenesulfonyl)butanoylamino]thiophene-3-carboxylate Traditional Name: 2-(4-besylbutanoylamino)thiophene-3-carboxylic acid methyl ester Formula: C16H17NO5S2 MolecularWeight: 367.43988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=O)CCCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=O)CCCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H17NO5S2/c1-22-16(19)13-9-10-23-15(13)17-14(18)8-5-11-24(20,21)12-6-3-2-4-7-12/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,17,18)