O4-ethyl O2-methyl 3-methyl-5-[3-(phenylsulfonyl)propanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-methyl 3-methyl-5-[3-(phenylsulfonyl)propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-methyl 5-[3-(benzenesulfonyl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester IUPAC Name: 4-O-ethyl 2-O-methyl 5-[3-(benzenesulfonyl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(3-besylpropanoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester Formula: C19H21NO7S2 MolecularWeight: 439.50254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H21NO7S2/c1-4-27-18(22)15-12(2)16(19(23)26-3)28-17(15)20-14(21)10-11-29(24,25)13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3,(H,20,21)