ethyl 3-methyl-5-[3-(phenylmethyl)sulfonylpropanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[3-(phenylmethyl)sulfonylpropanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(3-benzylsulfonylpropanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-3-(phenylmethyl)sulfonylpropyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-benzylsulfonylpropanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 5-(3-benzylsulfonylpropanoylamino)-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)CCS(=O)(=O)CC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2)C

InChI

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