[(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Openeye Name: [(1S)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid [(1S)-2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)OC(=O)C1=CC=CC=C1CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C)OC(=O)C1=CC=CC=C1CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C21H21N3O5S/c1-3-22-20(27)24-18(25)13(2)28-19(26)15-9-5-4-8-14(15)12-30-21-23-16-10-6-7-11-17(16)29-21/h4-11,13H,3,12H2,1-2H3,(H2,22,24,25,27)/t13-/m0/s1