(2-benzamido-2-oxidanylidene-ethyl) 2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: (2-benzamido-2-oxo-ethyl) 2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]acetic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]acetic acid (2-benzamido-2-keto-ethyl) ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-14-8-9-17(15(2)10-14)22-19(25)12-29-13-20(26)28-11-18(24)23-21(27)16-6-4-3-5-7-16/h3-10H,11-13H2,1-2H3,(H,22,25)(H,23,24,27)