ethyl 4-[2-[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[2-(3,5-dimethoxyanilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[2-(3,5-dimethoxyanilino)-2-keto-ethyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6S/c1-4-29-21(26)14-5-7-15(8-6-14)22-19(24)12-30-13-20(25)23-16-9-17(27-2)11-18(10-16)28-3/h5-11H,4,12-13H2,1-3H3,(H,22,24)(H,23,25)