ethyl 4-[2-[3-[2-(methylamino)-2-oxidanylidene-ethoxy]-3-oxidanylidene-propyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-[2-(methylamino)-2-oxidanylidene-ethoxy]-3-oxidanylidene-propyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-[2-(methylamino)-2-oxo-ethoxy]-3-oxo-propyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-[2-(methylamino)-2-oxoethoxy]-3-oxopropyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-[2-(methylamino)-2-oxoethoxy]-3-oxopropyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-keto-3-[2-keto-2-(methylamino)ethoxy]propyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)OCC(=O)NC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)OCC(=O)NC

InChI

InChI=1S/C17H22N2O6S/c1-3-24-17(23)12-4-6-13(7-5-12)19-15(21)11-26-9-8-16(22)25-10-14(20)18-2/h4-7H,3,8-11H2,1-2H3,(H,18,20)(H,19,21)