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

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H18N2O3S2 MolecularWeight: 362.46642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CC=CC=C2SCC3=CSC=N3

Isomeric SMILES

CC(C(=O)NC1CC1)OC(=O)C2=CC=CC=C2SCC3=CSC=N3

InChI

InChI=1S/C17H18N2O3S2/c1-11(16(20)19-12-6-7-12)22-17(21)14-4-2-3-5-15(14)24-9-13-8-23-10-18-13/h2-5,8,10-12H,6-7,9H2,1H3,(H,19,20)