ethyl 4-[2-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSCC(=O)NC2=CC=C(C=C2)C(=O)OCC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSCC(=O)NC2=CC=C(C=C2)C(=O)OCC)C

InChI

InChI=1S/C22H26N2O4S/c1-4-16-8-6-7-15(3)21(16)24-20(26)14-29-13-19(25)23-18-11-9-17(10-12-18)22(27)28-5-2/h6-12H,4-5,13-14H2,1-3H3,(H,23,25)(H,24,26)