[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C17H22N2O4S2 MolecularWeight: 382.49758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC=C(C=C1)C2SCCCS2

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)C1=CC=C(C=C1)C2SCCCS2

InChI

InChI=1S/C17H22N2O4S2/c1-10(2)13(14(20)19-17(18)22)23-15(21)11-4-6-12(7-5-11)16-24-8-3-9-25-16/h4-7,10,13,16H,3,8-9H2,1-2H3,(H3,18,19,20,22)/t13-/m1/s1