[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)OC(C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C16H22N2O4S/c1-9(2)14(15(20)18-16(17)21)22-13(19)8-23-12-7-10(3)5-6-11(12)4/h5-7,9,14H,8H2,1-4H3,(H3,17,18,20,21)