[2-oxidanylidene-2-(prop-2-enylamino)ethyl] 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: [2-(allylamino)-2-oxo-ethyl] 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid [2-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid [2-(allylamino)-2-keto-ethyl] ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NCC=C

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NCC=C

InChI

InChI=1S/C17H22N2O4S/c1-4-9-18-15(20)10-23-17(22)13-7-5-6-8-14(13)24-11-16(21)19-12(2)3/h4-8,12H,1,9-11H2,2-3H3,(H,18,20)(H,19,21)