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

Systemtic Name: [1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-(cyclopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid [1-[[(cyclopropylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid [2-(cyclopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)OC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C(=O)NC(=O)NC1CC1)OC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H21N3O5S/c1-13(19(26)25-21(28)23-15-10-11-15)29-20(27)16-7-3-2-6-14(16)12-31-22-24-17-8-4-5-9-18(17)30-22/h2-9,13,15H,10-12H2,1H3,(H2,23,25,26,28)