methyl 4,5-dimethyl-2-[[3-(methylsulfonylmethyl)phenyl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[[3-(methylsulfonylmethyl)phenyl]carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[3-(methylsulfonylmethyl)benzoyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[3-(methylsulfonylmethyl)phenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[3-(methylsulfonylmethyl)benzoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[3-(mesylmethyl)benzoyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H19NO5S2 MolecularWeight: 381.46646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO5S2/c1-10-11(2)24-16(14(10)17(20)23-3)18-15(19)13-7-5-6-12(8-13)9-25(4,21)22/h5-8H,9H2,1-4H3,(H,18,19)