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

Systemtic Name: ethyl 3-[2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[2-keto-2-(p-anisidino)ethyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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