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

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C16H21ClN2O4S MolecularWeight: 372.86694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)CCCSC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)CCCSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C16H21ClN2O4S/c1-10(2)14(15(21)19-16(18)22)23-13(20)4-3-9-24-12-7-5-11(17)6-8-12/h5-8,10,14H,3-4,9H2,1-2H3,(H3,18,19,21,22)/t14-/m1/s1