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

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(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=C(C=C2)SCC3=CSC=N3

Isomeric SMILES

CC(C(=O)NC1CC1)OC(=O)C2=CC=C(C=C2)SCC3=CSC=N3

InChI

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