[1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H20N2O4S2 MolecularWeight: 368.471

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)OC(=O)C1=CC=C(C=C1)C2SCCS2

Isomeric SMILES

CCNC(=O)NC(=O)C(C)OC(=O)C1=CC=C(C=C1)C2SCCS2

InChI

InChI=1S/C16H20N2O4S2/c1-3-17-16(21)18-13(19)10(2)22-14(20)11-4-6-12(7-5-11)15-23-8-9-24-15/h4-7,10,15H,3,8-9H2,1-2H3,(H2,17,18,19,21)