[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)C2SCCCS2

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)C2SCCCS2

InChI

InChI=1S/C17H20N2O4S2/c1-2-8-18-17(22)19-14(20)11-23-15(21)12-4-6-13(7-5-12)16-24-9-3-10-25-16/h2,4-7,16H,1,3,8-11H2,(H2,18,19,20,22)