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

Systemtic Name: methyl 4-[[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[2-(diethylamino)-2-oxo-ethyl]sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[[2-(diethylamino)-2-oxoethyl]thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[2-(diethylamino)-2-oxoethyl]sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[[2-(diethylamino)-2-keto-ethyl]thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSCC(=O)NCC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCN(CC)C(=O)CSCC(=O)NCC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C17H24N2O4S/c1-4-19(5-2)16(21)12-24-11-15(20)18-10-13-6-8-14(9-7-13)17(22)23-3/h6-9H,4-5,10-12H2,1-3H3,(H,18,20)