4-(2-tert-butylsulfanylethanoylamino)-3-methyl-benzoate

Systemtic Name: 4-(2-tert-butylsulfanylethanoylamino)-3-methyl-benzoate Openeye Name: 4-[(2-tert-butylsulfanylacetyl)amino]-3-methyl-benzoate CAS Name: 4-[[2-(tert-butylthio)-1-oxoethyl]amino]-3-methylbenzoate IUPAC Name: 4-[(2-tert-butylsulfanylacetyl)amino]-3-methylbenzoate Traditional Name: 4-[[2-(tert-butylthio)acetyl]amino]-3-methyl-benzoate Formula: C14H18NO3S- MolecularWeight: 280.36262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)[O-])NC(=O)CSC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)[O-])NC(=O)CSC(C)(C)C

InChI

InChI=1S/C14H19NO3S/c1-9-7-10(13(17)18)5-6-11(9)15-12(16)8-19-14(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)(H,17,18)/p-1