[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(4-acetamidophenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(4-acetamidophenyl)sulfanylethanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 2-(4-acetamidophenyl)sulfanylacetate CAS Name: 2-[(4-acetamidophenyl)thio]acetic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-acetamidophenyl)sulfanylacetate Traditional Name: 2-[(4-acetamidophenyl)thio]acetic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)CSC1=CC=C(C=C1)NC(=O)C

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)CSC1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C16H21N3O5S/c1-9(2)14(15(22)19-16(17)23)24-13(21)8-25-12-6-4-11(5-7-12)18-10(3)20/h4-7,9,14H,8H2,1-3H3,(H,18,20)(H3,17,19,22,23)/t14-/m1/s1