[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-thiazol-4-ylmethoxy)benzoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-thiazol-4-ylmethoxy)benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 4-(thiazol-4-ylmethoxy)benzoate CAS Name: 4-(4-thiazolylmethoxy)benzoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(1,3-thiazol-4-ylmethoxy)benzoate Traditional Name: 4-(thiazol-4-ylmethoxy)benzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CC=C(C=C2)OCC3=CSC=N3

Isomeric SMILES

C[C@H](C(=O)NC1CC1)OC(=O)C2=CC=C(C=C2)OCC3=CSC=N3

InChI

InChI=1S/C17H18N2O4S/c1-11(16(20)19-13-4-5-13)23-17(21)12-2-6-15(7-3-12)22-8-14-9-24-10-18-14/h2-3,6-7,9-11,13H,4-5,8H2,1H3,(H,19,20)/t11-/m1/s1