[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H21NO5S2 MolecularWeight: 395.49304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)CCNS(=O)(=O)C2=CC=CS2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)CCNS(=O)(=O)C2=CC=CS2)C

InChI

InChI=1S/C18H21NO5S2/c1-12-6-7-15(11-13(12)2)18(21)14(3)24-16(20)8-9-19-26(22,23)17-5-4-10-25-17/h4-7,10-11,14,19H,8-9H2,1-3H3