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

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C14H16N2O4S2 MolecularWeight: 340.41784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4S2/c1-8(11(17)16-14(15)19)20-12(18)9-2-4-10(5-3-9)13-21-6-7-22-13/h2-5,8,13H,6-7H2,1H3,(H3,15,16,17,19)