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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C1=CC=C(C=C1)SCC2=CSC=N2

Isomeric SMILES

CC(C(=O)NCC=C)OC(=O)C1=CC=C(C=C1)SCC2=CSC=N2

InChI

InChI=1S/C17H18N2O3S2/c1-3-8-18-16(20)12(2)22-17(21)13-4-6-15(7-5-13)24-10-14-9-23-11-19-14/h3-7,9,11-12H,1,8,10H2,2H3,(H,18,20)