methyl 4-[2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[2-keto-2-(p-phenetidino)ethyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H22N2O5S/c1-3-27-17-10-8-16(9-11-17)22-19(24)13-28-12-18(23)21-15-6-4-14(5-7-15)20(25)26-2/h4-11H,3,12-13H2,1-2H3,(H,21,23)(H,22,24)