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

Systemtic Name: methyl 2-[2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[2-(4-ethylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[2-(4-ethylanilino)-2-keto-ethyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C20H22N2O4S/c1-3-14-8-10-15(11-9-14)21-18(23)12-27-13-19(24)22-17-7-5-4-6-16(17)20(25)26-2/h4-11H,3,12-13H2,1-2H3,(H,21,23)(H,22,24)