ethyl 2-[4-(phenylmethyl)sulfonylbutanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(phenylmethyl)sulfonylbutanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-(4-benzylsulfonylbutanoylamino)thiophene-3-carboxylate CAS Name: 2-[[1-oxo-4-(phenylmethyl)sulfonylbutyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-benzylsulfonylbutanoylamino)thiophene-3-carboxylate Traditional Name: 2-(4-benzylsulfonylbutanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C18H21NO5S2 MolecularWeight: 395.49304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)CCCS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)CCCS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H21NO5S2/c1-2-24-18(21)15-10-11-25-17(15)19-16(20)9-6-12-26(22,23)13-14-7-4-3-5-8-14/h3-5,7-8,10-11H,2,6,9,12-13H2,1H3,(H,19,20)