methyl 4,5-dimethyl-2-[4-(phenylmethyl)sulfonylbutanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[4-(phenylmethyl)sulfonylbutanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-(4-benzylsulfonylbutanoylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-4-(phenylmethyl)sulfonylbutyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-benzylsulfonylbutanoylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(4-benzylsulfonylbutanoylamino)-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H23NO5S2 MolecularWeight: 409.51962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCCS(=O)(=O)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCCS(=O)(=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C19H23NO5S2/c1-13-14(2)26-18(17(13)19(22)25-3)20-16(21)10-7-11-27(23,24)12-15-8-5-4-6-9-15/h4-6,8-9H,7,10-12H2,1-3H3,(H,20,21)