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

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(allylamino)-2-oxo-ethyl] 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid [2-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid [2-(allylamino)-2-keto-ethyl] ester Formula: C16H16N2O3S2 MolecularWeight: 348.43984

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)COC(=O)C1=CC=C(C=C1)SCC2=CSC=N2

Isomeric SMILES

C=CCNC(=O)COC(=O)C1=CC=C(C=C1)SCC2=CSC=N2

InChI

InChI=1S/C16H16N2O3S2/c1-2-7-17-15(19)8-21-16(20)12-3-5-14(6-4-12)23-10-13-9-22-11-18-13/h2-6,9,11H,1,7-8,10H2,(H,17,19)