[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C15H19ClN2O4S MolecularWeight: 358.84036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)CCSC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)CCSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C15H19ClN2O4S/c1-9(2)13(14(20)18-15(17)21)22-12(19)7-8-23-11-5-3-10(16)4-6-11/h3-6,9,13H,7-8H2,1-2H3,(H3,17,18,20,21)/t13-/m1/s1