[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]acetate CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]acetic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetate Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]acetic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)CSCC1=C(C=CC(=C1)C(=O)C)OC

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)CSCC1=C(C=CC(=C1)C(=O)C)OC

InChI

InChI=1S/C18H24N2O6S/c1-10(2)16(17(23)20-18(19)24)26-15(22)9-27-8-13-7-12(11(3)21)5-6-14(13)25-4/h5-7,10,16H,8-9H2,1-4H3,(H3,19,20,23,24)/t16-/m1/s1