[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid [2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid [2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl] ester Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C19H22N2O6S2/c1-12-10-17(13(2)28-12)18(23)11-27-19(24)8-9-20-29(25,26)16-6-4-15(5-7-16)21-14(3)22/h4-7,10,20H,8-9,11H2,1-3H3,(H,21,22)