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

Systemtic Name: methyl 2-[3-(4-methylphenyl)sulfonylpropanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[3-(p-tolylsulfonyl)propanoylamino]thiophene-3-carboxylate CAS Name: 2-[[3-(4-methylphenyl)sulfonyl-1-oxopropyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-methylphenyl)sulfonylpropanoylamino]thiophene-3-carboxylate Traditional Name: 2-(3-tosylpropanoylamino)thiophene-3-carboxylic acid methyl ester Formula: C16H17NO5S2 MolecularWeight: 367.43988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=C(C=CS2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=C(C=CS2)C(=O)OC

InChI

InChI=1S/C16H17NO5S2/c1-11-3-5-12(6-4-11)24(20,21)10-8-14(18)17-15-13(7-9-23-15)16(19)22-2/h3-7,9H,8,10H2,1-2H3,(H,17,18)