methyl 4-(2-prop-2-enylsulfanylethanoylamino)benzoate

Systemtic Name: methyl 4-(2-prop-2-enylsulfanylethanoylamino)benzoate Openeye Name: methyl 4-[(2-allylsulfanylacetyl)amino]benzoate CAS Name: 4-[[1-oxo-2-(prop-2-enylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-prop-2-enylsulfanylacetyl)amino]benzoate Traditional Name: 4-[[2-(allylthio)acetyl]amino]benzoic acid methyl ester Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSCC=C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSCC=C

InChI

InChI=1S/C13H15NO3S/c1-3-8-18-9-12(15)14-11-6-4-10(5-7-11)13(16)17-2/h3-7H,1,8-9H2,2H3,(H,14,15)