methyl 4,5-dimethyl-2-[3-(4-methylphenyl)sulfonylpropanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[3-(4-methylphenyl)sulfonylpropanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[3-(p-tolylsulfonyl)propanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[3-(4-methylphenyl)sulfonyl-1-oxopropyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[3-(4-methylphenyl)sulfonylpropanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(3-tosylpropanoylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H21NO5S2 MolecularWeight: 395.49304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

InChI

InChI=1S/C18H21NO5S2/c1-11-5-7-14(8-6-11)26(22,23)10-9-15(20)19-17-16(18(21)24-4)12(2)13(3)25-17/h5-8H,9-10H2,1-4H3,(H,19,20)