dimethyl 3-methyl-5-[3-(phenylsulfonyl)propanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[3-(phenylsulfonyl)propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[3-(benzenesulfonyl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(benzenesulfonyl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(3-besylpropanoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H19NO7S2 MolecularWeight: 425.47596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO7S2/c1-11-14(17(21)25-2)16(27-15(11)18(22)26-3)19-13(20)9-10-28(23,24)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,19,20)