[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] (E)-3-(5-bromo-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-thiophenyl)-2-propenoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (E)-3-(5-bromothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-thienyl)acrylic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C13H15BrN2O4S MolecularWeight: 375.2382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C=CC1=CC=C(S1)Br

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)/C=C/C1=CC=C(S1)Br

InChI

InChI=1S/C13H15BrN2O4S/c1-7(2)11(12(18)16-13(15)19)20-10(17)6-4-8-3-5-9(14)21-8/h3-7,11H,1-2H3,(H3,15,16,18,19)/b6-4+/t11-/m1/s1