ethyl 4-azanyl-3-(2-ethoxy-1-methylsulfanyl-2-oxidanylidene-ethyl)-5-methyl-benzoate

Systemtic Name: ethyl 4-azanyl-3-(2-ethoxy-1-methylsulfanyl-2-oxidanylidene-ethyl)-5-methyl-benzoate Openeye Name: ethyl 4-amino-3-(2-ethoxy-1-methylsulfanyl-2-oxo-ethyl)-5-methyl-benzoate CAS Name: 4-amino-3-[2-ethoxy-1-(methylthio)-2-oxoethyl]-5-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-amino-3-(2-ethoxy-1-methylsulfanyl-2-oxoethyl)-5-methylbenzoate Traditional Name: 4-amino-3-[2-ethoxy-2-keto-1-(methylthio)ethyl]-5-methyl-benzoic acid ethyl ester Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)C(C(=O)OCC)SC)N)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)C(C(=O)OCC)SC)N)C

InChI

InChI=1S/C15H21NO4S/c1-5-19-14(17)10-7-9(3)12(16)11(8-10)13(21-4)15(18)20-6-2/h7-8,13H,5-6,16H2,1-4H3