ethyl 3-[2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=C(C=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=C(C=C(C=C2)C)C

InChI

InChI=1S/C21H24N2O4S/c1-4-27-21(26)16-6-5-7-17(11-16)22-19(24)12-28-13-20(25)23-18-9-8-14(2)10-15(18)3/h5-11H,4,12-13H2,1-3H3,(H,22,24)(H,23,25)