(2-benzamido-2-oxidanylidene-ethyl) 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: (2-benzamido-2-oxo-ethyl) 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid (2-benzamido-2-keto-ethyl) ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)NC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)NC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C20H21NO4S/c1-14-8-9-17(12-15(14)2)26-11-10-19(23)25-13-18(22)21-20(24)16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,21,22,24)