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

Systemtic Name: ethyl 4-[2-[2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[2-[cyclohexyl(methyl)amino]-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[2-[cyclohexyl(methyl)amino]-2-keto-ethyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC(=O)N(C)C2CCCCC2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC(=O)N(C)C2CCCCC2

InChI

InChI=1S/C20H28N2O4S/c1-3-26-20(25)15-9-11-16(12-10-15)21-18(23)13-27-14-19(24)22(2)17-7-5-4-6-8-17/h9-12,17H,3-8,13-14H2,1-2H3,(H,21,23)